Appendices of the Final Screening Assessment Petroleum Sector Stream Approach Low Boiling Point Naphthas [Industry-Restricted] Chemical Abstracts Service Registry Numbers 64741-42-0 64741-69-1 64741-78-2 Environment Canada Health Canada July 2013

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Appendices

Appendix 1: Petroleum substance grouping
Appendix 2: Physical and chemical data tables for industry-restricted LBPNs
Appendix 3: Measures designed to prevent, reduce or manage unintentional releases
Appendix 4: Release estimation of industry-restricted LBPNs during transportation
Appendix 5: Modelling results for environment properties of industry restricted LBPNs
Appendix 6: Modelling results for human exposure to industry restricted LBPNs
Appendix 7: Summary of health effects information from pooled health effects data for LBPNs

Appendix 1: Petroleum substance grouping

**Table A1.1. Description of the nine groups of petroleum substances**
Group^[a]	Description	Example
Crude oils	Complex combinations of aliphatic and aromatic hydrocarbons and small amounts of inorganic compounds, naturally occurring under the earth’s surface or under the seafloor	Crude oil
Petroleum and refinery gases	Complex combinations of light hydrocarbons primarily from C¹–C⁵	Propane
Low boiling point naphthas	Complex combinations of hydrocarbons primarily from C₄–C₁₂	Gasoline
Gas oils	Comples combinations of hydrocarbons primarily from C₉–C₂₅	Diesel
Heavy fuel oils	Complex combinations of heavy hydrocarbons primarily from C₁₁–C₅₀	Fuel Oil No. 6
Base oils	Complex combinations of hydrocarbons primarily from C₁₅–C₅₀	Lubricating oils
Aromatic extracts	Complex combinations of primarily aromatic hydrocarbons from C₁₅–C₅₀	Feedstock for benzene production
Waxes, slack waxes and petrolatum	Complex combinations of primarily aliphatic hydrocarbons from C₁₂–C₈₅	Petrolatum
Bitumen or vacuum residues	Complex combinations of heavy hydrocarbons having carbon numbers greater than C₂₅	Asphalt

^[a] These groups were based on classifications developed by Conservation of Clean Air and Water in Europe (CONCAWE) and a contractor’s report presented to the Canadian Petroleum Products Institute (Simpson 2005).

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Appendix 2: Physical and chemical data tables for industry-restricted LBPNs

**Table A2.1. Substance identity of industry-restricted LBPNs**
CAS RN and DSL Name	64741-42-0 Naphtha (petroleum), full-range straight-run	NCI 2006
CAS RN and DSL Name	64741-69-1 Naphtha (petroleum), light hydrocracked	NCI 2006
CAS RN and DSL Name	64741-78-2 Naphtha (petroleum), heavy hydrocracked	NCI 2006
Chemical group	Petroleum – LBPNs
Major components	Aliphatic and aromatic hydrocarbons
Carbon range	64741-42-0	C₄–C₁₁	ECB 2000a
Carbon range	64741-69-1	C₄–C₁₀	ECB 2000b
Carbon range	64741-78-2	C₆–C₁₂	ECB 2000c
Approximate ratio of aromatics to non-aromatics	64741-42-0	4:96	ECB 2000a
Approximate ratio of aromatics to non-aromatics	64741-69-1	26:52	ECB 2000b
Approximate ratio of aromatics to non-aromatics	64741-78-2	20:80	ECB 2000c; CONCAWE 1992; API 2001a

Table A2.2. Physical-chemical properties for representative structures contained in LBPNs^[a]

**Alkanes**
Chemical class, name and CAS RN	Boiling point (°C)	Melting point (°C)	Vapour pressure (Pa)	Henry’s Law constant (Pa·m³/mol)	Log K_ow	Log K_oc	Aqueous solubility (mg/L at 25°C unless otherwise stated)
C₄ butane (106-97-8)	−0.5 (expt.)	−138.2 (expt.)	2.43×10⁵ (expt.)	9.63×10⁴ (expt.)	2.89^[b](expt.)	3.00	61^[c]
C₆ hexane (110-54-3)	68.7^[d]	−95.3^[e](expt.)	2.0×10⁴ (expt.)	1.8×10⁵	3.90^[b](expt.)	2.17	fresh water: 9.5–13 (20°C); salt water: 75.5 (20°C)^[e]
C₉ nonane (111-84-2)	150.8^[c](expt.)	−53.5^[c](expt.)	5.93×10² (expt.)	3.4×10⁵ (expt.)	5.65^[c](expt.)	2.97	0.22 (expt.)
C₁₂ dodecane (112-40-3)	216.3^[c](expt.)	−9.6^[c](expt.)	18^[b] (expt.)	8.29×10⁵ (expt.)	6.10^[c](expt.)	3.77	0.0037^[e]

**Isoalkanes**
Chemical class, name and CAS RN	Boiling point (°C)	Melting point (°C)	Vapour pressure (Pa)	Henry’s Law constant (Pa·m³/mol)	Log K_ow	Log K_oc	Aqueous solubility (mg/L at 25°C unless otherwise stated)
C₄ isobutane (75-28-5)	−11.7^[f]	−138.3 (expt.)	3.48×10⁵ (expt.)	1.21×10⁵ (expt.)	2.76^[f]	1.55	49^[c]
C₆ 2-methylpentane (43133-95-5)	60.2 (expt.)	−153.7 (expt.)	2.8×10⁴ (expt.)	1.7×10⁵ (expt.)	3.21	2.10	14 (expt.)
C₉ 2,2-dimethylheptane (1071-26-7)	133 (expt.)	−113 (expt.)	1.4×10³	6.4×10⁴	4.61	2.85	0.700
C₁₂ 2,3-dimethyldecane (17312-44-6)	181.36	−43	165.3	2.5×10⁵	6.09	3.64	0.113

**n-Alkenes**
Chemical class, name and CAS RN	Boiling point (°C)	Melting point (°C)	Vapour pressure (Pa)	Henry’s Law constant (Pa·m³/mol)	Log K_ow	Log K_oc	Aqueous solubility (mg/L at 25°C unless otherwise stated)
C₉ nonene (27215-95-8)	149.5	−56.7	500 (expt.)	2.4×10⁴	4.55	2.97	3.62
C₁₂ 9-methyl-1-undecene	192.2	−33	99.8	1.3×10⁵	6	5.2	0.13

**One-ring cycloalkanes**
Chemical class, name and CAS RN	Boiling point (°C)	Melting point (°C)	Vapour pressure (Pa)	Henry’s Law constant (Pa·m³/mol)	Log K_ow	Log K_oc	Aqueous solubility (mg/L at 25°C unless otherwise stated)
C₆ cyclohexane (110-82-7)	80.7 (expt.)	6.6 (expt.)	1.3×10⁴ (expt.)	1.52×10⁴ (expt.)	3.44^[f]	2.22	55 (expt.)
C₉ 1,2,3-trimethylcyclohexane (1678-97-3)	144^[g](expt.)	−66.9^[g](expt.)	650	1.7×10⁴	4.43	2.86	4.56
C₁₂ n-hexylcyclohexane (4292-75-5)	224^[g](expt.)	−43^[g](expt.)	15.2^[g](expt.)	2.9×10⁴	6.05	3.77	0.12

**Two-ring cycloalkanes**
Chemical class, name and CAS RN	Boiling point (°C)	Melting point (°C)	Vapour pressure (Pa)	Henry’s Law constant (Pa·m³/mol)	Log K_ow	Log K_oc	Aqueous solubility (mg/L at 25°C unless otherwise stated)
C₉ cis-bicyclo[4.3.0]nonane (4551-51-3)	167^[g](expt.)	−53^[g](expt.)	320	2.0×10³	3.71	3.00	19.3
C₁₂ dicyclohexyl (92-51-3)	177.9^[g](expt.)	−51.4^[g](expt.)	196g (expt.)	20.4 (expt.)	3.18^[g](expt.)	3.00	109 (expt.)

**One-ring aromatics**
Chemical class, name and CAS RN	Boiling point (°C)	Melting point (°C)	Vapour pressure (Pa)	Henry’s Law constant (Pa·m³/mol)	Log K_ow	Log K_oc	Aqueous solubility (mg/L at 25°C unless otherwise stated)
C₆ benzene (71-43-2)	80^[g](expt.)	5.5 (expt.)	1.2×10⁴	562	2.13^[d](expt.)	2.22	1790^[d](expt.)
C₉ 1-methyl-2-ethylbenzene (611-14-3)	165.2^[g](expt.)	−80.8^[g](expt.)	348	560	3.53^[g](expt.)	2.93	74.6^[g](expt.)
C₁₂ 1,2,3-triethylbenzene (42205-08-3)	229.59	11.85	10.6	595.2	5.11	3.72	1.8

**Two-ring aromatics**
Chemical class, name and CAS RN	Boiling point (°C)	Melting point (°C)	Vapour pressure (Pa)	Henry’s Law constant (Pa·m³/mol)	Log K_ow	Log K_oc	Aqueous solubility (mg/L at 25°C unless otherwise stated)
C₁₂ biphenyl (92-52-4)	256.1^[g] (expt.)	69^[g](expt.)	1.19 (expt.)	31.2 (expt.)	3.98^[g](expt.)	3.8	6.94 (expt.)

^[a] All values are modelled unless denoted with an (expt.) for experimental data. Models used were: melting and boiling points and vapour pressure, MPBPWIN (2008); Henry’s Law constant, HENRYWIN (2008); log K _ow , KOWWIN (2008); log K _oc , KOCWIN (2009); water solubility, WSKOWWIN (2008).
^[b] McAuliffe 1966
^[c] McAuliffe 1963
^[d] PETROTOX 2009
^[e] Verschueren 2001
^[f] Hansch et al. 1995
^[g] EPI Suite 2008

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Appendix 3: Measures designed to prevent, reduce or manage unintentional releases

For the Canadian petroleum industry, requirements at the provincial/territorial level typically prevent or manage the unintentional releases of petroleum substances and streams within a facility through the use of operating permits (SENES 2009).

At the federal level, unintentional releases of some petroleum substances are addressed under the Petroleum Refinery Liquid Effluent Regulations and guidelines in the Fisheries Act (Canada 2010). These regulations set the discharge limits of oil and grease, phenol, sulfides, ammonia nitrogen and total suspended matter, and lay out testing requirements for acute toxicity in the final petroleum effluents entering Canadian waters.

Additionally, existing occupational health and safety legislation specifies measures to reduce occupational exposures of employees, and some of these measures also serve to reduce unintentional releases (CanLII 2009).

Non-regulatory measures (e.g., guidelines, best practices) are also in place at petroleum sector facilities to reduce unintentional releases. Such control measures include appropriate material selection during the design and setup processes; regular inspection and maintenance of storage tanks, pipelines and other process equipment; the implementation of leak detection and repair or other equivalent programs; the use of floating roofs in above-ground storage tanks to reduce the internal gaseous zone; and the minimal use of underground tanks, which can lead to undetected leaks or spills (SENES 2009).

Under the Canada Shipping Act, 2001 (Canada 2001), releases of petroleum substances from marine loading and unloading and transportation are managed by pollution prevention and response provisions (Parts 8 and 9), including the establishment of pollution prevention plans and pollution emergency plans for any discharges during loading or unloading activities.

For those substances containing highly volatile components (e.g., LBPNs, gasoline), a vapour recovery system is generally implemented or recommended at loading terminals of Canadian petroleum facilities (SENES 2009). Such a system is intended to reduce evaporative emissions during handling procedures.

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Appendix 4: Release estimation of industry-restricted LBPNs during transportation

**Table A4.1. National naphtha spills information, 2000–2009, from Environment Canada’s Spill Line database (Environment Canada 2011)^[a]**
Year	Minimum spill volume (litres)	Maximum single spill volume (litres)	Median spill volume (litres)	Total number of spills reported	Number of spills with unknown volume	Total known volume spilled (litres)	Extrapolated total volume spilled (litres)
2009		5500		1	0	5500	5500
2008		600		4	2	600	1800
2007^[b]		1590		2	1	1590	3180
2006	200	6400	3300	4	2	6600	13 200
2005	318	1260	789	2	0	1578	1578
2004		40		1	0	40	40
2003	0	0	0	0	0	0	0
2002	0	0	0	0	0	0	0
2001	0	0	0	0	0	0	0
2000		2226		1	0	2226	2226
Total volume spilled						18 133	27 524
Average volume spilled (Estimated total volume spilled/total number spills)							1966

^[a] Collisions, poor road conditions and/or adverse weather-related events listed as a source, cause or reason of spill were not included in the release estimate. Releases where the source was pipeline or train were also not considered.
^[b] An extremely large spill (190 776 L) in Alberta in 2007 was not included.

**Table A4.2. Known volume (L) of naphtha spills in Canada, 2000–2009 (Environment Canada 2011)**
Province	2000	2004	2005	2006	2007	2008	2009	Total
AB				6600				6600
SK							5500	5500
MB			1260					1260
QC		40	318			600		958
NL	2226				1590			3816

**Table A4.3. Naphtha releases to air, land and freshwater reported in the Environment Canada Spill Line database (Environment Canada 2011)**
	Air	Land	Fresh water
2000	0	1	0
2001	0	0	0
2002	0	0	0
2003	0	0	0
2004	0	1	0
2005	1	1	0
2006	1	3	0
2007	1	1	0
2008	2	1	1
2009	0	1	0
Total	5	8	1
Total volume (L)	1018	17 115	N/A
Total estimated volume (L)	2036	25 488	N/A
Average volume (L)	407	3186	N/A

N/A – Not available; the release to fresh water did not have a reported volume.

**Table A4.4a. Sources of naphtha spills in Canada, 2000–2009 (Environment Canada 2011)**
Source	Total number of releases	Total volume of releases (L)	Proportion of volume	Average release (L)
Other industrial plant	5	8178	0.45	2044
Refinery	5	6100	0.34	3050
Other	1	2226	0.12	2226
Unknown	1	1590	0.09	1590
Tank truck	1	40	0.00	40
Service station	1	N/A	0.00	N/A
Total	14	18 134	1.00	2014

N/A – not available.

**Table A4.4b. Causes of naphtha spills in Canada, 2000–2009 (Environment Canada 2011)**
Cause	Total number of releases	Total volume of releases (L)	Proportion of volume	Average release (L)
Other	5	8826	0.49	2942
Valve, fitting leak	3	5818	0.32	2909
Pipe leak	3	2190	0.12	1095
Overturn	1	1260	0.07	1260
Discharge	1	40	0.00	40
Process upset	1	N/A	0.00	N/A
Total	14	18 134	1.00	2014

**Table A4.4c. Reasons for naphtha spills in Canada, 2000–2009 (Environment Canada 2011)**
Reason	Total number of releases	Total volume of releases (L)	Proportion of volume	Average release (L)
Equipment failure	7	13 690	0.75	3738
Other	1	2226	0.12	2226
Error	2	1300	0.07	650
Material failure	2	600	0.03	600
Fire, explosion	1	318	0.02	318
Intentional	1	N/A	0.00	N/A
Total	14	18 134	1.00	2014

N/A – not available.

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Appendix 5: Modelling results for environment properties of industry-restricted LBPNs

Table A5.1. Results of the Level III fugacity modelling (EQC 2003)

n -Alkanes
C₄ butane
Compartment of release (100%)	Percentage of substance partitioning into Air	Percentage of substance partitioning into Water	Percentage of substance partitioning into Soil	Percentage of substance partitioning into Sediment
Air	100	0	0	0
Water	9.3	90.4	0	0.3
Soil	93.5	0	6.5	0

n -Alkanes
C₆ hexane
Compartment of release (100%)	Percentage of substance partitioning into Air	Percentage of substance partitioning into Water	Percentage of substance partitioning into Soil	Percentage of substance partitioning into Sediment
Air	100	0	0	0
Water	5.8	92.5	0	1.7
Soil	66.5	0	33.5	0

n -Alkanes
C₉ nonane
Compartment of release (100%)	Percentage of substance partitioning into Air	Percentage of substance partitioning into Water	Percentage of substance partitioning into Soil	Percentage of substance partitioning into Sediment
Air	99.5	0.03	0.5	0.02
Water	1.5	48	0	50.5
Soil	0.1	0	99.9	0

n -Alkanes
C₁₂ dodecane
Compartment of release (100%)	Percentage of substance partitioning into Air	Percentage of substance partitioning into Water	Percentage of substance partitioning into Soil	Percentage of substance partitioning into Sediment
Air	99.6	0	0.4	0
Water	0.4	23.6	0	76.0
Soil	3.0	0	97.0	0

Isoalkanes
C₄ isobutane
Compartment of release (100%)	Percentage of substance partitioning into Air	Percentage of substance partitioning into Water	Percentage of substance partitioning into Soil	Percentage of substance partitioning into Sediment
Air	100	0	0	0
Water	9.7	90.1	0	0.2
Soil	94.8	0	5.2	0

Isoalkanes
C₆ methylpentane
Compartment of release (100%)	Percentage of substance partitioning into Air	Percentage of substance partitioning into Water	Percentage of substance partitioning into Soil	Percentage of substance partitioning into Sediment
Air	100	0	0	0
Water	5.9	93.8	0	0.3
Soil	89.8	0.01	10.2	0

Isoalkanes
C₉ 2,3-dimethylheptane
Compartment of release (100%)	Percentage of substance partitioning into Air	Percentage of substance partitioning into Water	Percentage of substance partitioning into Soil	Percentage of substance partitioning into Sediment
Air	99.8	0	0.2	0
Water	3.3	85.7	0	11
Soil	6.2	0	93.7	0

Isoalkanes
C₁₂ 2,3-dimethyldecane
Compartment of release (100%)	Percentage of substance partitioning into Air	Percentage of substance partitioning into Water	Percentage of substance partitioning into Soil	Percentage of substance partitioning into Sediment
Air	99.4	0	0.6	0
Water	0.4	23.3	0	76.3
Soil	0.9	0	99.0	0

n -Alkenes
C₉ nonene
Compartment of release (100%)	Percentage of substance partitioning into Air	Percentage of substance partitioning into Water	Percentage of substance partitioning into Soil	Percentage of substance partitioning into Sediment
Air	99.8	0	0.2	0
Water	0.7	93.5	0	5.8
Soil	0.8	0	99.2	0

n -Alkenes
C₁₂ 9-methyl-1-undecene
Compartment of release (100%)	Percentage of substance partitioning into Air	Percentage of substance partitioning into Water	Percentage of substance partitioning into Soil	Percentage of substance partitioning into Sediment
Air	99.4	0	0.6	0
Water	0.4	27.6	0	72
Soil	0.5	0	99.5	0

One-ring cycloalkanes
C₆ cyclohexane
Compartment of release (100%)	Percentage of substance partitioning into Air	Percentage of substance partitioning into Water	Percentage of substance partitioning into Soil	Percentage of substance partitioning into Sediment
Air	99.9	0.02	0.06	0
Water	4.1	91.2	0	4.7
Soil	33.0	0.2	66.8	0

One-ring cycloalkanes
C₉ 1,2,3-trimethyl-cyclohexane
Compartment of release (100%)	Percentage of substance partitioning into Air	Percentage of substance partitioning into Water	Percentage of substance partitioning into Soil
Air	99.8	0	0.2
Water	2.8	93.4	3.8
Soil	3.2	0	96.8

One-ring cycloalkanes
C₁₂ n-hexylcyclohexane
Compartment of release (100%)	Percentage of substance partitioning into Air	Percentage of substance partitioning into Water	Percentage of substance partitioning into Soil	Percentage of substance partitioning into Sediment
Air	99.0	0	0.9	0.04
Water	0.3	20.1	0	79.6
Soil	0.07	0	99.9	0

Two-ring cycloalkanes
C₉ *cis*-bicyclo[4.3.0]nonane
Compartment of release (100%)	Percentage of substance partitioning into Air	Percentage of substance partitioning into Water	Percentage of substance partitioning into Soil	Percentage of substance partitioning into Sediment
Air	99.0	0.2	0.8	0.01
Water	2.7	88.8	0.02	8.5
Soil	2	0.1	97.9	0.01

Two-ring cycloalkanes
C₁₂ dicyclohexyl
Compartment of release (100%)	Percentage of substance partitioning into Air	Percentage of substance partitioning into Water	Percentage of substance partitioning into Soil	Percentage of substance partitioning into Sediment
Air	98.3	0.02	1.6	0.1
Water	0.2	16.1	0	83.7
Soil	0.05	0	99.9	0.01

One-ring aromatics
C₆ benzene
Compartment of release (100%)	Percentage of substance partitioning into Air	Percentage of substance partitioning into Water	Percentage of substance partitioning into Soil	Percentage of substance partitioning into Sediment
Air	99.7	0.2	0.1	0
Water	10.4	89.4	0	0.2
Soil	37.7	1.0	61.2	0

One-ring aromatics
C₉
1-methyl-2-ethylbenzene
Compartment of release (100%)	Percentage of substance partitioning into Air	Percentage of substance partitioning into Water	Percentage of substance partitioning into Soil	Percentage of substance partitioning into Sediment
Air	99.4	0.3	0.3	0
Water	4.4	94.6	0.01	0.9
Soil	1.0	0.1	98.9	0

One-ring aromatics
C₁₂ 1,2,3-triethylbenzene
Compartment of release (100%)	Percentage of substance partitioning into Air	Percentage of substance partitioning into Water	Percentage of substance partitioning into Soil	Percentage of substance partitioning into Sediment
Air	99.4	0.2	0.4	0.04
Water	1.6	76.1	0	22.3
Soil	0	0	100	0

Two-ring aromatics
C₁₂ biphenyl
Compartment of release (100%)	Percentage of substance partitioning into Air	Percentage of substance partitioning into Water	Percentage of substance partitioning into Soil	Percentage of substance partitioning into Sediment
Air	85.6	9.9	3.4	1.1
Water	1.6	88.2	0.06	10.1
Soil	0	0.1	99.9	0

Table A5.2. Empirical biodegradation half-lives of hydrocarbons from a formulated gasoline (Prince et al. 2007b)

**Aromatics**
Class and compound	Median half-life (days)	Mean half-life (days)
benzene	3.2	4.6
1-methylethylbenzene	3.2	5.2
2-ethyl-1,3-dimethylbenzene	3.2	4.9

**Two-ring aromatics**
Class and compound	Median half-life (days)	Mean half-life (days)
naphthalene	3.2	4.4

**n -Alkanes**
Class and compound	Median half-life (days)	Mean half-life (days)
butane	15.0	31.8
hexane	6.5	10.2
nonane	3.2	4.4
dodecane	2.8	3.8

**Isoalkanes**
Class and compound	Median half-life (days)	Mean half-life (days)
2-methylpropane (isobutane)	17.1	41.7
2-methylpentane	10.4	16.7
3-methylpentane	10.1	21.3
2-methylheptane	4.8	6.0
4-methylnonane	3.2	4.8

**Cycloalkanes**
Class and compound	Median half-life (days)	Mean half-life (days)
1,1,3-trimethylcyclohexane	8.5	14.2

**Alkenes**
Class and compound	Median half-life (days)	Mean half-life (days)
cis-3-hexene	6.5	8.4

**Cycloalkenes**
Class and compound	Median half-life (days)	Mean half-life (days)
cyclopentene	8.1	11.5
4-methylcyclopentene	8.1	12.5

Table A5.3. Modelled data for primary (BIOHCWIN 2008; BIOWIN 4 2009) and ultimate (BIOWIN 3, 5, 6 2009; CATABOL c2004-2008; TOPKAT 2004) degradation of LBPNs

Primary Biodegradation
Alkanes
Alkanes	BioHCWin (2008)^[a]	BIOWIN 4 (2009) Expert Survey^[b]
C₄ butane	4	4.0
C₆ hexane	5	3.99
C₉ n-nonane	7	4.20
C₁₂ dodecane	12	4.14

Primary Biodegradation
Isoalkanes
Isoalkanes	BioHCWin (2008)^[a]	BIOWIN 4 (2009) Expert Survey^[b]
C₄ isobutane	3	3.76
C₆ 2-methylpentane	4	3.72
C₉ 2,3-dimethylheptane	8	3.93
C₁₂ 2,3-dimethyldecane	12	3.87

Primary Biodegradation
Alkenes
Alkenes	BioHCWin (2008)^[a]	BIOWIN 4 (2009) Expert Survey^[b]
C₉ nonene	4	4.2
C₁₂ 9-methyl-1-undecene	11	3.60

Primary Biodegradation
One-ring cycloalkanes
One-ring cycloalkanes	BioHCWin (2008)^[a]	BIOWIN 4 (2009) Expert Survey^[b]
C₆ cyclohexane	55.4 (28–182)^[c]	3.73
C₉ 1,2,3-trimethylcyclohexane	4	3.67
C₁₂ n-hexylcyclohexane	16	3.87

Primary Biodegradation
Two-ring cycloalkanes
Two-ring cycloalkanes	BioHCWin (2008)^[a]	BIOWIN 4 (2009) Expert Survey^[b]
C₉ cis-bicyclononane	56	3.67
C₁₂ dicyclohexyl	27	3.61

Primary Biodegradation
One-ring aromatics
One-ring aromatics	BioHCWin (2008)^[a]	BIOWIN 4 (2009) Expert Survey^[b]
C₆ benzene	4.6(5–16)^[c]	3.39
C₉ 1-methyl-2-ethylbenzene	5	3.54
C₁₂ 1,2,3-triethylbenzene	5	3.41

Primary Biodegradation
Two-ring aromatics
Two-ring aromatics	BioHCWin (2008)^[a]	BIOWIN 4 (2009) Expert Survey^[b]
C₁₂ biphenyl	31.0 (1.5–7)^[c]	3.64

Table A5.3 cont. Modelled data for primary (BioHCWin 2008; BIOWIN 4 2009)a andultimate (BIOWIN 3, 5, 6 2009; CATABOL c2004–2008; TOPKAT 2004) degradation of LBPNs

Ultimate Biodegradation
Alkanes
Alkanes	BIOWIN 3 (2009) Expert Survey^[b]	BIOWIN 5 (2009) MITI linear probability^[d]	BIOWIN 6 (2009) MITI non-linear probability^[d]	CATABOL (2008) % BOD	TOPKAT (2004) Probability of biodegradability	Extrapolated half-life compared with criteria (days)
C₄ butane	3.4	0.64	0.85	98	1	less than 182
C₆ hexane	3.3	0.65	0.86	98	1	less than 182
C₉ n-nonane	3.51	0.68	0.87	99.95	1	less than 182
C₁₂ dodecane	3.42	0.70	0.87	100	1	less than 182

Ultimate Biodegradation
Isoalkanes
Isoalkanes	BIOWIN 3 (2009) Expert Survey^[b]	BIOWIN 5 (2009) MITI linear probability^[d]	BIOWIN 6 (2009) MITI non-linear probability^[d]	CATABOL (2008) % BOD	TOPKAT (2004) Probability of biodegradability	Extrapolated half-life compared with criteria (days)
C₄ isobutane	3.07	0.49	0.69	10.6	0.98	less than 182
C₆ 2-methylpentane	0.71	0.51	0.70	16.7	1	less than 182
C₉ 2,3-dimethyl-heptane	3.21	0.38	0.50	7.8	1	less than 182
C₁₂ 2,3-dimethyldecane	3.12	0.40	0.52	60.2	1	less than 182

Ultimate Biodegradation
Alkenes
Alkenes	BIOWIN 3 (2009) Expert Survey^[b]	BIOWIN 5 (2009) MITI linear probability^[d]	BIOWIN 6 (2009) MITI non-linear probability^[d]	CATABOL (2008) % BOD	TOPKAT (2004) Probability of biodegradability	Extrapolated half-life compared with criteria (days)
C₉ nonene	3.52	0.60	0.75	43.9	0.32	less than 182
C₁₂ 9-methyl-1-undecene	2.83	0.53	0.67	27.8	1	less than 182

Ultimate Biodegradation
One-ring cycloalkanes
One-ring cycloalkanes	BIOWIN 3 (2009) Expert Survey^[b]	BIOWIN 5 (2009) MITI linear probability^[d]	BIOWIN 6 (2009) MITI non-linear probability^[d]	CATABOL (2008) % BOD	TOPKAT (2004) Probability of biodegradability	Extrapolated half-life compared with criteria (days)
C₆ cyclohexane	3.01	0.58	0.82	100	0	less than 182
C₉ 1,2,3-trimethyl-cyclohexane	2.92	0.43	0.32	2.64	0.011^[e]	less than 182
C₁₂ n-hexyl-cyclohexane	3.13	0.57	0.71	4.3	1	less than 182

Ultimate Biodegradation
Two-ring cycloalkanes
Two-ring cycloalkanes	BIOWIN 3 (2009) Expert Survey^[b]	BIOWIN 5 (2009) MITI linear probability^[d]	BIOWIN 6 (2009) MITI non-linear probability^[d]	CATABOL (2008) % BOD	TOPKAT (2004) Probability of biodegradability	Extrapolated half-life compared with criteria (days)
C₉ cis-bicyclo- nonane	2.92	0.51	0.58	0	0.001	less than 182
C₁₂ dicyclohexyl	2.83	0.44	0.46	0	1	less than 182

Ultimate Biodegradation
One-ring aromatics
One-ring aromatics	BIOWIN 3 (2009) Expert Survey^[b]	BIOWIN 5 (2009) MITI linear probability^[d]	BIOWIN 6 (2009) MITI non-linear probability^[d]	CATABOL (2008) % BOD	TOPKAT (2004) Probability of biodegradability	Extrapolated half-life compared with criteria (days)
C₆ benzene	2.44	0.53	0.73	7.5	1	less than 182
C₉ 1-methyl-2-ethylbenzene	2.78	0.37	0.44	10.7^[e]	0.09	less than 182
C₁₂ 1,2,3-triethyl benzene	2.62	0.09	0.11	5.7	0	greater than or equal to 182

Ultimate Biodegradation
Two-ring aromatics
Two-ring aromatics	BIOWIN 3 (2009) Expert Survey^[b]	BIOWIN 5 (2009) MITI linear probability^[d]	BIOWIN 6 (2009) MITI non-linear probability^[d]	CATABOL (2008) % BOD	TOPKAT (2004) Probability of biodegradability	Extrapolated half-life compared with criteria (days)
C₁₂ biphenyl	2.90	0.34	0.33	12.8	0.57	less than 182

Abbreviations: BOD, biological oxygen demand; MITI, Ministry of International Trade & Industry, Japan
^[a] Half-life estimations are for non-specific media (i.e., water, soil and sediment).
^[b] Output is a numerical score from 0–5.
^[c] Howard et al. (1991)
^[d] Output is a probability score.
^[e] Modelled results were found to be out of domain and therefore not considered for persistence. For modelled results of CATABOL that were found to be out of domain, it was assumed that results for TOPKAT, BIOWIN 5, 6 were also out of domain because these models use the same dataset. In these cases, only BIOWIN 3, 4 and BioHCWin were considered when determining the persistence of the component.

**Table A5.4. Empirical data for photodegradation of components of LBPNs (Atkinson 1990)**
Substance	Half-lives in air (days)
butane	3.4
isobutane	3.2
pentane	2.0
isopentane	2.0

Table A5.5. Modelled atmospheric degradation of representative structures for LBPNs (AOPWIN 2008)

**Alkanes**
Alkanes	Half-lives (days) Oxidation	Half-lives (days) Ozone^[a]
C₄ butane	4.1	N/A^[b]
C₆ hexane	2	N/A
C₉ nonane	1.1	N/A
C₁₂ dodecane	0.8	N/A

**Isoalkanes**
Isoalkanes	Half-lives (days) Oxidation	Half-lives (days) Ozonea
C₄ isobutane	4.4	N/A
C₆ methylpentane	2	N/A
C₉ 2,3-dimethylheptane	1.1	N/A
C₁₂ 2,3-dimethyldecane	0.8	N/A

**n-Alkenes**
n-Alkenes	Half-lives (days) Oxidation	Half-lives (days) Ozonea
C₉ nonene	0.1	0.1
C₁₂ 9-methyl-1-undecene	0.28	0.96

**One-ring cycloalkanes**
One-ring cycloalkanes	Half-lives (days) Oxidation	Half-lives (days) Ozonea
C₆ cyclohexane	1.3	N/A
C₉ 1,2,3-trimethylcyclohexane	0.8	N/A
C₁₂ n-hexylcyclohexane	0.6	N/A

**Two-ring complex rings**
Two-ring complex rings	Half-lives (days) Oxidation	Half-lives (days) Ozonea
C₉ cis-bicyclo[4.3.0]nonane	0.8	N/A
C₁₂ dicyclohexyl	1.3	N/A

**One-ring aromatics**
One-ring aromatics	Half-lives (days) Oxidation	Half-lives (days) Ozonea
C₆ benzene	5.5 (2–20)a	N/A
C₉ 1-methyl-2-ethylbenzene	1.4	N/A
C₁₂ 1,2,3-triethylbenzene	0.6	N/A

**Two-ring aromatics**
Two-ring aromatics	Half-lives (days) Oxidation	Half-lives (days) Ozonea
C₁₂ biphenyl	1.6	N/A

^[a] Howard et al. (1991)
^[b] N/A: not available.

Table A5.6. Experimental BAFs for aromatic hydrocarbons

**One-ring aromatics**
One-ring aromatics	Reference Species; Study details	Log K_ow	BAF experimental (L/kg ww)
C₆ benzene	Zhou et al.1997 Atlantic salmon (white muscle); 96-hour (WSF of crude oil)	2.13 (expt.)	4
C₇ toluene	Zhou et al. 1997 Atlantic salmon (white muscle); 96-hour (WSF of crude oil)	2.73 (expt.)	11
C₈ ethylbenzene	Zhou et al. 1997 Atlantic salmon (white muscle); 96-hour (WSF of crude oil)	3.15 (expt.)	26
C₉ xylenes	Zhou et al. 1997 Atlantic salmon (white muscle); 96-hour (WSF of crude oil)	3.12 (expt.)	47
C₉ isopropyl-benzene	Zhou et al. 1997 Atlantic salmon (white muscle); 96-hour (WSF of crude oil)	3.66 (expt.)	20
C₉ propylbenzene	Zhou et al. 1997 Atlantic salmon (white muscle); 96-hour (WSF of crude oil)	3.69 (expt.)	36
C₉ ethylmethyl-benzene	Zhou et al. 1997 Atlantic salmon (white muscle); 96-hour (WSF of crude oil)	3.98 (expt.)	51
C₁₂ trimethyl-benzene	Zhou et al. 1997 Atlantic salmon (white muscle); 96-hour (WSF of crude oil)	3.66 (expt.)	74

**Two-ring aromatics**
Two-ring aromatics	Reference Species; Study details	Log K_ow	BAF experimental (L/kg ww)
C₁₀ naphthalene	Neff et al. 1976 Clam; 24-hour (oil-in-water dispersion of No. 2 fuel oil) lab study	3.30 (expt.)	2.3
C₁₁ methyl naphthalenes	Zhou et al. 1997 Atlantic salmon (white muscle); 96-hour (WSF of crude oil) lab study	3.87 (expt.)	230
C₁₁ 1-methyl-naphthalene	Neff et al. 1976 Clam; 24-hour (oil-in-water dispersion of No. 2 fuel oil) lab study	3.87 (expt.)	8.5
C₁₁ 2-methyl-naphthalene	Neff et al. 1976 Clam; 24-hour (oil-in-water dispersion of No. 2 fuel oil) lab study	3.86 (expt.)	8.1
C₁₂ dimethyl-naphthalene	Neff et al. 1976 Clam; 24-hour (oil-in-water dispersion of No. 2 fuel oil) lab study	4.31 (expt.)	17.1

Abbreviation: (expt.), experimental log K _ow data

Table A5.7. Fish BAF and BCF predictions for representative structures of LBPNs using the Arnot-Gobas three trophic level model (2004) with corrections for metabolism rate (k_m) and dietary assimilation efficiency (E_d)

**Alkanes**
Alkanes	Log K_ow	Metabolic rate constant for MTL fish (day^-1)^[a]	BCF^[b] MTL fish (L/kg ww)	BAF^[b] MTL fish (L/kg ww)
C₄ butane	2.9	0.6	47	47
C₆ hexane	3.9	0.3	302	302
C₉ nonane	5.7	0.09	1905	4074
C₁₂ dodecane	6.1	2.2 (expt.)^[c]	126	155

**Isoalkanes**
Isoalkanes	Log K_ow	Metabolic rate constant for MTL fish (day^-1)^[a]	BCF^[b] MTL fish (L/kg ww)	BAF^[b] MTL fish (L/kg ww)
C₄ isobutane	2.8	0.7	38	38
C₆ methylpentane	3.2	0.5	85	85
C₉ 2,3-dimethyl-heptane	4.6	0.02 (expt.)	2138	2754
C₁₂ 2,3-dimethyl-decane	6.1	1.22^[d]	794	1950

**n-Alkenes**
n-Alkenes	Log K_ow	Metabolic rate constant for MTL fish (day^-1)^[a]	BCFb MTL fish (L/kg ww)	BAFb MTL fish (L/kg ww)
C₉ nonene	4.6	0.1	955	1000
C₁₂ 9-methyl-1-undecene	6.0	0.08	1995	7079^[f]

**One-ring cycloalkanes**
One-ring cycloalkanes	Log K_ow	Metabolic rate constant for MTL fish (day^-1)^[a]	BCFb MTL fish (L/kg ww)	BAFb MTL fish (L/kg ww)
C₆ cyclohexane	3.0	1.6 (expt.)	44	44
C₉ 1,2,3-trimethyl-cyclohexane	4.4	0.09	966	1000
C₁₂ n-hexyl-cyclohexane	6.1	0.023e(expt.)	6025	57 543

**Two-ring cycloalkanes**
Two-ring cycloalkanes	Log K_ow	Metabolic rate constant for MTL fish (day^-1)^[a]	BCFb MTL fish (L/kg ww)	BAFb MTL fish (L/kg ww)
C₉ cis-bicyclo[4.3.0]nonane	3.7	0.08	272	280
C₁₂ dicyclohexyl	5.9	0.1 (expt.)	1175	2512

**One-ring aromatics**
One-ring aromatics	Log K_ow	Metabolic rate constant for MTL fish (day^-1)^[a]	BCFb MTL fish (L/kg ww)	BAFb MTL fish (L/kg ww)
C₆ benzene	2.2	0.2	11	11
C₉ 1-methyl-2-ethylbenzene	2.9	0.3	51	51
C₁₂ 1,2,3-triethylbenzene	3.7	0.2	257	257

**Two-ring aromatics**
Two-ring aromatics	Log K_ow	Metabolic rate constant for MTL fish (day^-1)^[a]	BCFb MTL fish (L/kg ww)	BAFb MTL fish (L/kg ww)
C₁₂ biphenyl	3.8	0.2	295	302

^[a] Metabolic rate constant normalized to middle trophic level (MTL) fish in Arnot-Gobas three trophic level model (2004) at W = 184 g, T = 10oC, L = 6.8%) based on estimated QSAR vaues from BCFBAF v3.01 unless otherwise indicated
^[b] Arnot-Gobas BCF and BAF predictions for midde trophic level fish using three trophic level model (Arnot and Gobas 2004) using normalized rate constant and correcting for observed or estimated dietary assimilation efficiency reported in Table A5.8b (Appendix 5).
^[c] (expt.) – experimental half-life used.
^[d] Based on calculated metabolic rate constant for n -dodecane.
^[e] Based on calculated metabolic rate for C ₁₄ n -octylcyclohexane.
^[f] Bolded values refer to BAFs greater than or equal to 5000 based on the Persistence and Bioaccumulation Regulations (Canada 2000a)

Table A5.8a. Experimental and predicted BCFs and BAFs for selected representative structures

**Alkanes**
Substance	Log K_ow	BCF Measured (L/kg ww)	Predicted BCF^[a] (L/kg ww) Study conditions^[b]	Predicted BCF^[a] (L/kg ww) MTL fish^[c]	Predicted BAF^[a] (L/kg ww) Study conditions^[b]	Predicted BAF^[a] (L/kg ww) MTL fish^[c]	Reference; species
C₈ octane	5.18 (expt.)	530	537	490	560	537	JNITE 2010; carp
C₁₂ n-dodecane	6.10 (expt.)	240	240	794	251	1950	Tolls and van Dijk 2002; fathead minnow

**One-ring cycloalkanes**
Substance	Log K_ow	BCF Measured (L/kg ww)	Predicted BCF^[a] (L/kg ww) Study conditions^[b]	Predicted BCF^[a] (L/kg ww) MTL fish^[c]	Predicted BAF^[a] (L/kg ww) Study conditions^[b]	Predicted BAF^[a] (L/kg ww) MTL fish^[c]	Reference; species
C₆ cyclohexane	3.44 (expt.)	77	77	89	77	89	CITI 1992; carp
C₇ 1-methyl-cyclohexane	3.61 (expt.)	240	190 ^[f]	275 ^[f]	229 ^[f]	426 ^[f]	CITI 1992; carp
C₈ ethylcyclohexane	4.56 (expt.)	2529	1622 ^[f]	2344 ^[f]	4467 ^[f]	5495 ^[f].	CITI 1992; carp

**Two-ring cycloalkanes**
Substance	Log K_ow	BCF Measured (L/kg ww)	Predicted BCF^[a] (L/kg ww) Study conditions^[b]	Predicted BCF^[a] (L/kg ww) MTL fish^[c]	Predicted BAF^[a] (L/kg ww) Study conditions^[b]	Predicted BAF^[a] (L/kg ww) MTL fish^[c]	Reference; species
C₁₀ trans-decalin	4.20	2200	724 ^[f]	1072 ^[f]	1288 ^[f]	1660 ^[f]	CITI 1992; carp
C₁₀ cis-decalin	4.20	2500	724 ^[f]	1072 ^[f]	1288 ^[f]	1660 ^[f]	CITI 1992; carp

**One-ring aromatics**
Substance	Log K_ow	BCF Measured (L/kg ww)	Predicted BCF^[a] (L/kg ww) Study conditions^[b]	Predicted BCF^[a] (L/kg ww) MTL fish^[c]	Predicted BAF^[a] (L/kg ww) Study conditions^[b]	Predicted BAF^[a] (L/kg ww) MTL fish^[c]	Reference; species
1,2,3-trimethyl-benzene	3.66 (expt.)	133^[d]	135	155	135	155	CITI 1992; carp
C₁₀ 1,2-diethyl-benzene	3.72 (expt.)	516^[d]	245 ^[f]	355 ^[f]	309 ^[f]	427 ^[f]	CITI 1992; carp
C₁₁ 1-methyl-4-tertbutylbenzene	3.66 (expt.)	less than 1.0	214 ^[f]	309 ^[f]	263 ^[f]	263 ^[f]	JNITE 2010; carp

**Cycloalkane monoaromatics**
Substance	Log K_ow	BCF Measured (L/kg ww)	Predicted BCF^[a] (L/kg ww) Study conditions^[b]	Predicted BCF^[a] (L/kg ww) MTL fish^[c]	Predicted BAF^[a] (L/kg ww) Study conditions^[b]	Predicted BAF^[a] (L/kg ww) MTL fish^[c]	Reference; species
C₁₀ tetralin	3.49 (expt.)	230	145 ^[f]	214 ^[f]	166 ^[f]	562 ^[f]	CITI 1992; carp

**Two-ring aromatics**
Substance	Log K_ow	BCF Measured (L/kg ww)	Predicted BCF^[a] (L/kg ww) Study conditions^[b]	Predicted BCF^[a] (L/kg ww) MTL fish^[c]	Predicted BAF^[a] (L/kg ww) Study conditions^[b]	Predicted BAF^[a] (L/kg ww) MTL fish^[c]	Reference; species
C₁₀ naphthalene	3.30 (expt.)	94	95 ^[f]	138 ^[f]	105 ^[f]	148 ^[f]	JNITE 2010; carp
C₁₁ 2-methylnapthalene	3.86 (expt.)	2886^[d] 3930e	2884^[f]	N/A	2884 ^[f]	N/A	Jonsson et al. 2004; sheepshead minnow
C₁₂ 1,3-dimethyl-naphthalene	4.42 (expt.)	4039^[d] 5751e	4073	N/A	4073	N/A	Jonsson et al. 2004; sheepshead minnow

**Cycloalkane diaromatics**
Substance	Log K_ow	BCF Measured (L/kg ww)	Predicted BCF^[a] (L/kg ww) Study conditions^[b]	Predicted BCF^[a] (L/kg ww) MTL fish^[c]	Predicted BAF^[a] (L/kg ww) Study conditions^[b]	Predicted BAF^[a] (L/kg ww) MTL fish^[c]	Reference; species
C₁₂ acenaphthene	3.92 (expt.)	991^[d]	389	562	977	741	CITI 1992; carp

^[a] BCF and BAF predictions were performed using the Arnot-Gobas mass-balance kinetic model normalizing the metabolic rate constant according to fish weight, lipid content and temperature reported in study or protocol.
^[b] Fish weight, lipid content and water temperature used when specified in study. For CITI/NITE tests when conditions not known, fish weight =30 g, lipid = 4.7%, temperature = 22oC for carp in accordance with MITI BCF test protocol. When more than one study was reported, the geomean of study values was used for model normalization inputs.
^[c] Kinetic mass-balance predictions made for middle trophic level fish (W = 184 g, T = 10°C, L = 6.8%) in Arnot-Gobas three trophic level model (Arnot and Gobas 2004).
^[d] Geometric mean of reported steady-state values.
^[e] Geometric mean of reported kinetic values.
^[f] Predictions generated with metabolism rate equal to zero due to negative predicted metabolism rate constant. Metabolism rate constant deemed erroneous or not applicable given log kow and BCF result (see kinetic rate constants table).
N/A – not applicable; study details could not be obtained to determine predicted BCFs and BAFs.
(e) – experimental data.

Table 5.8b. Calculated kinetic rate constants for selected representative structures

**Alkanes**
Substance	Study endpoint	Gill elimination rate constant day^-1 (k2)	Metabolic rate constant day^-1(kM)^[a]	Growth rate constant day^-1 (kG)	Fecal egestion rate constant day^-1 (kE)^[c]
C₈ octane^[g]	BCFss^[f]	0.077	0.657	0.001	0.007
C₁₂ n-dodecane	BCFss^[f]	0.035	4.95	0.002	0.013

**One-ring cycloalkanes**
Substance	Study endpoint	Gill elimination rate constant day^-1 (k2)	Metabolic rate constant day^-1(kM)^[a]	Growth rate constant day^-1 (kG)	Fecal egestion rate constant day^-1 (kE)^[c]
C₆ cyclohexane	BCFss^[f]	3.031	2.050	0.001	0.008
C₇ 1-methylcyclohexane^[g]	BCFss^[f]	2.072	-0.429	0.001	0.008
C₈ ethylcyclohexanev^[g]	BCFss^[f]	0.238	-0.087	0.001	0.008

**Two-ring cycloalkanes**
Substance	Study endpoint	Gill elimination rate constant day^-1 (k2)	Metabolic rate constant day^-1(kM)^[a]	Growth rate constant day^-1 (kG)	Fecal egestion rate constant day^-1 (kE)^[c]
C₁₀ trans-decalin^[g]	BCFss^[f]	0.510	-0.336	0.001	0.008
C₁₀ cis-decalin^[g]	BCFss^[f]	0.542	-0.390	0.001	0.008

**One-ring aromatics**
Substance	Study endpoint	Gill elimination rate constant day^-1 (k2)	Metabolic rate constant day^-1(kM)^[a]	Growth rate constant day^-1 (kG)	Fecal egestion rate constant day^-1 (kE)^[c]
C₉ 1,2,3-trimethylbenzene^[g]	BCFss^[f]	1.852	1.128	0.001	0.008
C₁₀ 1,2-diethylbenzene^[g]	BCFss^[f]	1.617	-0.854	0.001	0.008
C₁₁ 1-methyl-4-tertbutyl-benzene^[g]	BCFss^[f]	1.852	395.6	0.001	0.008

Cycloalkane
monoaromatics
Substance	Study endpoint	Gill elimination rate constant day^-1 (k2)	Metabolic rate constant day^-1(kM)^[a]	Growth rate constant day^-1 (kG)	Fecal egestion rate constant day^-1 (kE)^[c]
C₁₀ tetralin^[g]	BCFss^[f]	2.711	-1.009	0.001	0.008

**Two-ring aromatics**
Substance	Study endpoint	Gill elimination rate constant day^-1 (k2)	Metabolic rate constant day^-1(kM)^[a]	Growth rate constant day^-1 (kG)	Fecal egestion rate constant day^-1 (kE)^[c]
C₁₀ naphthalene^[g]	BCFss^[f]	4.129	-0.020	0.001	0.008
C₁₁ 2-methylnaphthalene^[g]	BCFss^[f] BCFkinetic^[f]	0.607	0.000	0.002	0.001
C₁₂ 1,3-dimethylnaphthalene^[g]	BCFss^[f] BCFkinetic^[f]	N/A 0.403	N/A 0.000	N/A 0.002	N/A 0.001

**Cycloalkane diaromatics**
Substance	Study endpoint	Gill elimination rate constant day^-1 (k2)	Metabolic rate constant day^-1(kM)^[a]	Growth rate constant day^-1 (kG)	Fecal egestion rate constant day^-1 (kE)^[c]
C₁₂ acenaphthene^[g]	BCFss^[f]	1.028	-0.632	0.001	0.008

Table A5.8b cont. Calculated kinetic rate constants for selected representative structures

**Alkanes**
Substance	Study endpoint	Total elimination rate constant day^-1(kT)^[b]	Uptake rate constants day^-1 (k1)	Dietary assimilation efficiency (α, ED)	Reference, species
C₈ octane^[g]	BCFss^[f]	0.742	406		JNITE 2010; carp
C₁₂ n-dodecane	BCFss^[f]	5.00	1525		Tolls and van Dijk 2002; fathead minnow

**One-ring cycloalkanes**
Substance	Study endpoint	Total elimination rate constant day^-1(kT)^[b]	Uptake rate constants day^-1 (k1)	Reference, species
C₆ cyclohexane	BCFss^[f]	5.090	392	CITI 1992; carp
C₇ 1-methylcyclohexane^[g]	BCFss^[f]	2.081	397	CITI 1992; carp
C₈ ethylcyclohexane^[g]	BCFss^[f]	0.247	405	CITI 1992; carp

**Two-ring cycloalkanes**
Substance	Study endpoint	Total elimination rate constant day^-1(kT)^[b]	Uptake rate constants day^-1 (k1)	Dietary assimilation efficiency (α, ED)	Reference, species
C₁₀ trans-decalin^[g]	BCFss^[f]	0.519	404		CITI 1992; carp
C₁₀ cis-decalin^[g]	BCFss^[f]	0.551	404		CITI 1992; carp

**One-ring aromatics**
Substance	Study endpoint	Total elimination rate constant day^-1(kT)^[b]	Uptake rate constants day^-1 (k1)	Reference, species
C₉ 1,2,3-trimethylbenzene^[g]	BCFss^[f]	2.989	398	CITI 1992; carp
C₁₀ 1,2-diethylbenzene^[g]	BCFss^[f]	1.679	398	CITI 1992; carp
C₁₁ 1-methyl-4-tertbutyl-benzene^[g]	BCFss^[f]	398.2	398	JNITE; carp

Cycloalkane
monoaromatics
Substance	Study endpoint	Total elimination rate constant day^-1(kT)^[b]	Uptake rate constants day^-1 (k1)	Dietary assimilation efficiency (α, ED)	Reference, species
C₁₀ tetralin^[g]	BCFss^[f]	2.720	394		CITI 1992; Carp

**Two-ring aromatics**
Substance	Study endpoint	Total elimination rate constant day^-1(kT)^[b]	Uptake rate constants day^-1 (k1)	Dietary assimilation efficiency (α, ED)	Reference, species
C₁₀ naphthalene^[g]	BCFss^[f]	4.138	387		JNITE 2010; carp
C₁₁ 2-methylnaphthalene^[g]	BCFss^[f] BCFkinetic^[f]	0.610^[d] 0.610	1089	3.2%^[e]	Jonsson et al. 2004; sheepshead minnow
C₁₂ 1,3-dimethylnaphthalene^[g]	BCFss^[f] BCFkinetic^[f]	0.406^[d] 0.406	2322^[d] 1100	N/A 3.2%e	Jonsson et al. 2004 (cited in Lampi et al. 2010); sheepshead minnow

**Cycloalkane diaromatics**
Substance	Study endpoint	Total elimination rate constant day^-1(kT)^[b]	Uptake rate constants day^-1 (k1)	Dietary assimilation efficiency (α, ED)	Reference, species
C₁₂ acenaphthene^[g]	BCFss^[f]	1.037	401		CITI 1992; carp

^[a] Negative values of kM indicate possible kinetic model error, as the estimated rate of metabolism exceeds the total of all other elimination rate constants combined. Observed BCFs may thus not be explained by kinetic modelling of metabolic rate (e.g., steric hindrance, low bioavailability) and could also point to study exposure error. Negative values of kM are not included in the estimate of kT.
^[b] Calculated using kinetic mass-balance BCF or BAF model based on reported rate kinetics of empirical study and correcting for log K _ow , fish body weight, temperature and lipid content of fish from cited study.
^[c] kT =(k2 + kM + kE + kG) or when depuration rate constant is known kT = (k2 + kG)
^[d] As reported in empirical study (geomean used when multiple values reported).
^[e] Based on assimilation efficiency data for 6- n -butyl-2,3-dimethylnaphthalene.
^[f] BCF steady state (tissue conc./water conc.).
^[g] Structures that are included as analogues for the chosen representative structures.
N/A – not applicable; study details could not be obtained to determine predicted BCFs and BAFs.

Table A5.9. An analysis of modelled persistence and bioaccumulation data on petroleum hydrocarbons with respect to the Canadian Persistence and Bioaccumulation Regulations

**An analysis of modelled persistence and bioaccumulation data on petroleum hydrocarbons**
C#	C₄	C₆	C₁₂
n-alkane	Pa	Pa
i-alkane	Pa	Pa
alkene			B
monocycloalkane			B
dicycloalkane	(-)
monoaromatic	(-)	Pa
diaromatic	(-)	(-)

Pa – Predicted persistence in air based on data from AOPWIN (2008).
P – Predicted persistence in soil, water and sediment based on data from BioHCWin (2008), BIOWIN (2008), CATABOL (c2004-2008) and TOPKAT (2004).
B – Predicted fish BCFs and/or BAFs using kinetic mass-balance model (Arnot and Gobas 2003).
Blank cell – representative structures are neither persistent nor bioaccumulative.
(-) – No such carbon numbers exist within the group.

Table A5.10. Aquatic toxicity of LBPNs naphthas and gasoline

**Fish**
Organism	Common name	Substance	Endpoint	Duration (hours)	Toxicity value (mg/L)	Reference
Cyprinodon variegatus	Sheepshead Minnow	Gasoline (API PS-6)	LC₅₀	96	8.3	CONCAWE 1992
Cyprinodon variegatus	Sheepshead Minnow	Synthetic gasoline	LC₅₀	96	5.3	CONCAWE 1992
Lepomis macrochirus	Bluegill Sunfish	Gasoline (API PS-6)	LC₅₀	96	6.3	CONCAWE 1992
Lepomis macrochirus	Bluegill Sunfish	Synthetic gasoline	LC₅₀	96	6.4	CONCAWE 1992
Oncorhynchus mykiss	Rainbow Trout	Gasoline (API PS-6)	LC₅₀	96	2.7	CONCAWE 1992
Oncorhynchus mykiss	Rainbow Trout	Synthetic gasoline	LC₅₀	96	5.1	CONCAWE 1992
Oncorhynchus mykiss	Rainbow Trout	Unleaded/low-lead gasoline	LC₅₀	48	5.4–6.8	CONCAWE 1992
Oncorhynchus mykiss	Rainbow Trout	Unleaded/low-lead gasoline	LC₅₀	96	125.0–182.0	CONCAWE 1992
Oncorhynchus mykiss	Rainbow Trout	Unleaded/low-lead gasoline	LC₅₀	168	96.0–182.0	CONCAWE 1992
Oncorhynchus mykiss	Rainbow Trout	Unleaded/low-lead gasoline	LL₅₀	96	10–18	CONCAWE 1996
Oncorhynchus mykiss	Rainbow Trout	Unleaded/low-lead gasoline	NOEL	96	4.5–10	CONCAWE 1996
Oncorhynchus mykiss	Rainbow Trout	Naphtha mixtures	LL₅₀	96	10-18	CONCAWE 1996
Oncorhynchus mykiss	Larvae	Unleaded/low-lead gasoline	LC₅₀	48	7	Lockhart 1987
Oncorhynchus mykiss	Larvae	Unleaded/low-lead gasoline	LC₅₀	48	5	Lockhart 1987
Oncorhynchus mykiss	Larvae	Unleaded/low-lead gasoline	EC₅₀ closed container	48	6.80	Whiticar et al. 1993
Oncorhynchus mykiss	Larvae	Unleaded/low-lead gasoline	EC₅₀ open container	48	5.40	Whiticar et al. 1993
Alburnus alburnus	Common Bleak	Unleaded/low-lead gasoline	LC₅₀	24	47.0	CONCAWE 1992
Alosa sapidissima	American Shad	Gasoline (unspecified)	TLM	24	90–91	CONCAWE 1992
Alosa sapidissima	American Shad	Gasoline (unspecified)	TLM	48	91	CONCAWE 1992
Odontesthes argentinensis	Marine Pejerrey larvae	Gasoline (unspecified)	LC₅₀	96	54.8	Rodrigues et al. 2010
Pimephales promelas	Fathead Minnow	Naphtha mixtures	LC₅₀	96	8.3	PPSC 1995a

**Freshwater invertebrates**
Organism	Common name	Substance	Endpoint	Duration (hours)	Toxicity value (mg/L)	Reference
Daphnia magna	Water Flea	Gasoline (API PS-6)	EC₅₀	48	3	CONCAWE 1992
Daphnia magna	Water Flea	Synthetic gasoline	EC₅₀	48	1.2	CONCAWE 1992
Daphnia magna	Water Flea	Unleaded/low-lead gasoline	EC₅₀	24	260	CONCAWE 1992
Daphnia magna	Water Flea	Unleaded/low-lead gasoline	EC₅₀	24	345	CONCAWE 1992
Daphnia magna	Water Flea	Unleaded/low-lead gasoline	EC₅₀	48	6.3	MacLean and Doe 1989
Daphnia magna	Water Flea	Unleaded/low-lead gasoline	EC₅₀	48	4.9	MacLean and Doe 1989
Daphnia magna	Water Flea	Unleaded/low-lead gasoline	LC₅₀	48	6.8	Lockhart et al. 1987
Daphnia magna	Water Flea	Unleaded/low-lead gasoline	LC₅₀	48	5.4	Lockhart et al. 1987
Daphnia magna	Water Flea	Unleaded/low-lead gasoline	LC₅₀	48	50	MacLean and Doe 1989
Daphnia magna	Water Flea	Unleaded/low-lead gasoline	LC₅₀	48	18	EETD 1989
Daphnia magna	Water Flea	Unleaded/low-lead gasoline	EC₅₀	48	4.5–13	CONCAWE 1996
Daphnia magna	Water Flea	Unleaded/low-lead gasoline	NOEL	48	0.1–4.5	CONCAWE 1996
Daphnia magna	Water Flea	Unleaded/low-lead gasoline	LC₅₀	48	18.4–50.3	Whiticar et al. 1993
Daphnia magna	Water Flea	Unleaded/low-lead gasoline	EC₅₀	48	1.79–4.91	Whiticar et al. 1993
Daphnia magna	Unleaded/low-lead gasoline	Naphtha mixtures	EL₅₀	48	4.5–32	PPSC 1995b; CONCAWE 1996

**Marine invertebrates**
Organism	Common name	Substance	Endpoint	Duration (hours)	Toxicity value (mg/L)	Reference
Artemia sp.	Brine Shrimp	Unleaded/low-lead gasoline	EC₅₀	48	25.1	CONCAWE 1992
Artemia sp.	Brine Shrimp	Unleaded/low-lead gasoline	LC₅₀	48	51	MacLean and Doe 1989
Artemia sp.	Brine Shrimp	Unleaded/low-lead gasoline	LC₅₀	48	18	EETD 1989
Artemia sp.	Brine Shrimp	Unleaded/low-lead gasoline	LC₅₀	48	17.7–51.4	Whiticar et al. 1993
Artemia sp.	Brine Shrimp	Unleaded/low-lead gasoline	EC₅₀	48	8.6–25.1	Whiticar et al. 1993
Mysidopsis bahia	Mysid Shrimp	Gasoline (API PS-6)	LC₅₀	96	1.8	CONCAWE 1992
Mysidopsis bahia	Mysid Shrimp	Synthetic gasoline	LC₅₀	96	0.3	CONCAWE 1992
Mysidopsis bahia	Mysid Shrimp	Naphtha mixtures	EL₅₀	96	13.8	PPSC 1995c
Strongylocentrotus droebachiensis eggs	Green Sea Urchin	Gasoline (unspecified)	Cytolysis		greater than 38	CONCAWE 1992
Strongylocentrotus pallidus eggs	Pale Sea Urchin	Gasoline (unspecified)	Irregular cleavage		28	CONCAWE 1992
Nitocra spinipes	Copepod	Unleaded/low-lead gasoline	LC₅₀	96	171.0	CONCAWE 1992
Crangon crangon	Common Shrimp	Gasoline (unspecified)	LC₅₀	96	15	CONCAWE 1992
Crangon crangon	Common Shrimp	Naphtha (64742-73-0)	LC₅₀	96	4.3	ECB 2000a
Tigriopus californicus	Copepod	Gasoline (unspecified)	85% mortality	24	1	CONCAWE 1992
Tretraselmis chuii	Microalgae	14 gasoline formulations	IC₅₀	96	4.93–96.52	Paixão et al. 2007
Crassostrea rhizophorae	Oyster embryos	14 gasoline formulations	EC₅₀	24	8.25–41.37	Paixão et al. 2007
Chaetogammarus marinus	Marine gammarid	Naphtha (64742-73-0)	LC₅₀	96	2.6	ECB 2000a

**Algae**
Organism	Common name	Substance	Endpoint	Duration (hours)	Toxicity value (mg/L)	Reference
Pseudokirchneriella subcapitata	Green alga	Catalytically cracked naphtha	EC₅₀ growth	72	880	ECB 2000b
Pseudokirchneriella subcapitata	Green alga	Catalytically cracked naphtha	NOEL	72	0.1	ECB 2000b

**Other**
Organism	Common name	Substance	Endpoint	Duration (hours)	Toxicity value (mg/L)	Reference
Xenopus sp.	Frog	n-dodecane	Mortality	96	500	Buryskova et al. 2006

Definitions: EL ₅₀ : the loading concentration of a substance that is estimated to cause some toxic effect on 50% of the test organisms; EC ₅₀ : the concentration of a substance that is estimated to cause a defined effect on 50% of the test organisms; LC ₅₀ : the concentration of a substance that is estimated to be lethal to 50% of the test organisms; LL ₅₀ : the loading concentration of a substance that is estimated to be lethal to 50% of the test organisms; NOEC/L: no-observed-effect concentration/level.

**Table A5.11. Modelled data for toxicity to aquatic organisms (PETROTOX 2009)^[a]**
Organism	64741-42-0 Acute LL₅₀^[b] (mg/L)	64741-69-1 Acute LL₅₀ (mg/L)	64741-78-2 Acute LL₅₀ (mg/L)
Daphnia magna	1.29	3.58	1.94
Oncorhynchus mykiss	0.61	1.61	0.94
Pseudokirchneriella subcapitatum^[c]	1.48	1.60	2.17
Rhepoxynius abronius	0.26	0.76	0.34
Palaemonetes pugio	0.50	1.40	0.77
Menidia beryllina	4.25	14.40	6.28
Neanthes arenaceodentata	2.33	7.22	3.47

^[a] All results are from PETROTOX (2009) version 3.04 using the low resolution procedure. These tests used a 90:10 water to headspace ratio to allow for evaporative emissions.
^[b] Median lethal loading concentration (LL ₅₀ ) was used in place of median lethal concentration (LC ₅₀ ) due to the insolubility of petroleum substances in water.
^[c] Default particulate organic carbon (POC) concentration for algae: 2.0 mg/L.

**Table A5.12. Canada Wide Standards for Petroleum Hydrocarbons in coarse-grained agricultural soils (mg/kg dw) (CCME 2008)**
Exposure pathways	F1^[a] (C₆–C₁₀)	F2 ( greater than C₁₀–C₁₆)	F3 ( greater than C₁₆–C₃₄)	F4 ( greater than C₃₄)
Protection of groundwater for aquatic life	970	380	N/A^[b]	N/A
Protection of groundwater for livestock watering	5300	14 000	N/A	N/A
Nutrient cycling	NC^[c]	NC	NC	NC
Eco soil contact	210	150	300	2800
Eco soil ingestion	NC	NC	NC	NC

^[a] F: fraction.
^[b] N/A: not available.
^[c] NC: not calculated.

**Table A5.13. Total volume of soil expected to be contaminated after a spill of 2230 kg of LBPNs to various Canadian soils based on a read-across from data on gasoline**
Soil Type	Retention capacity^[a],^[b](mggasoline/kgsoil)	Bulk density of soil^[b] (g/cm³)	Area affected by average spill of LBPNs at soil saturation (m³)
Ottawa Sand	68 000	1.7	19.3
Delhi Loamy Sand	170 000	1.5	8.7
Elora Silt Loam	238 000	1.5	6.2

^[a] After 24 hours of free drainage.
^[b] From Arthurs et al. 1995

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Appendix 6: Modelling results for human exposure to industry-restricted LBPNs

Figure A6.1. Schematic of volume sources spaced at regular intervals (blue squares) along the trajectory of motion to mimic emissions from moving truck line source. The ISC3 User’s Guide (SCREEN3 ISC3 1995: p. 1–47) suggests the use of a set of volume sources spaced at regular intervals along the trajectory of motion to mimic the effect of emissions from line sources (e.g., train lines or highways). Protocols for choosing the minimum distances between the discrete volume sources are given. For example, the distance between adjacent volume sources, d, should be approximately one third or less of the distance between the line source and the receptor. The estimation of the rate of release of emissions from each volume source is as follows. The total emission rate (kg/h) is known. If the truck is moving at a speed of 100 km/h and the volume sources are spaced at 300-m intervals, the truck emission can be approximated as emission from 100 000 m/300 m = 333 volume sources. The emission rate for each volume source is determined by (total emission rate)/333. For a truck moving at 50 km/h, the number of volume sources is 50 000/300 = 167, and the emission rate for each source is higher than the latter case.

**Table A6.1. Variable inputs to SCREEN3**
Variables Source type	Input Area	Input Area	Input Line	Input Line	Input Area
Effective emission area or speed for line source^[a]	Scenarios I, IIa, IIb	Scenario III	Scenario IV	Scenario V	Scenario VI
Effective emission area or speed for line source^[a]	50 × 10 m²	10 × 2 m²	50 km/h	100 km/h	20 × 20 m²
Emission rate (g/s·m²)	2.0 × 10^−3[b]	2.3 × 10^−4[b]	2.3 × 10^−4[b]	2.3 × 10^−4[b]	1.46 × 10−2 ^[c]
Receptor height^[d]	1.74 m (humans)
Source release heighta	3 m (I, IIa, IIb, IV, V, VI) and 1 m (III)
Variable wind adjustment factor^[e]	0.4 (from maximum 1 hour to 24 hour) 0.2 (from maximum 1 hour to annual)
Urban–rural option	Urban (scenarios I, IIa, IIb, IV and VI) Rural (scenarios III and V)
Meteorology^[f]	1 (Full meteorology)
Minimum and maximum distance to use	200–3000 m (scenarios I, IIa, IIb, III, IV, V) 500–3000 m (scenario VI)

^[a] Professional judgement.
^[b] Emission rate from transit (g/s) is available in Table A6.2 (Appendix 6).
^[c] Calculated using the formula for evaporative emission to air during loading shown after Table A6.3 (Appendix 6).
^[d] Curry et al. (1993)
^[e] U.S. EPA (1992).
^[f] Default value in SCREEN3 (1996).

Table A6.2. Estimated regular evaporative emission of industry-restricted LBPNs to air in transit process^[a]

**Estimated regular evaporative emission to air**
Substance	kg/year	kg/day^[b]	g/s
Industry-restricted LBPNs	140^[c]–30 000^[d]	0.40c–85^[d]	4.6 × 10⁻³–0.98

^[a] Numbers are presented as a range to cover evaporative emissions from the various transportation modes involved.
^[b] 350 days/year for transportation period: The Risk Management Research Institute (RMRI 2007) summarized the industry-related shipping traffic in Placentia Bay, Newfoundland and Labrador, during 2004–2005, showing approximately 3900 transits per year from tankers, bulk cargo, tugboat and other means. For the Come By Chance refinery only, approximately over 230 tanker transits per year are related to shipping petroleum substances. Thus, it is reasonable to assume an average 350 days/year of transportation period. Information on transport frequency by trucks and trains is not available.
^[c] From truck transport of each of CAS RNs 64741-42-0, 64741-69-1 and 64741-78-2.
^[d] From ship transport of CAS RN 64741-42-0.

Figure A6.2. Exposure scenarios for ships leaving port. Ship motion perpendicular to the shoreline (a) and parallel to the shoreline (b) is considered. The ship is assumed to move at a speed of 10 km/h as it is leaving port. Separation of adjacent volume sources is taken as d/3. Exposures at d = 200, 500 and 1000 m from the shoreline are calculated.

Table A6.3. Estimated evaporative emissions of industry-restricted LBPNs (CAS RNs 64741-42-0, 64741-69-1, and 64741-78-2) to air

Category	Releases to air due to evaporative emission (kg/year)
By pipelines	Not involved^[a]
By ships^[b]
Loading	40 000^[c]
Transport	30 000^[c]
Unloading	N/A^[d]
By trucks
Loading	1050^[e]
Transport	140^[e]
Unloading	1050^[e]
By trains	Not involved^[a]

^[a] No releases expected as these LBPNs assessed in this report are not transported via this mode of transportation based on information submitted under section 71 of CEPA 1999 (Environment Canada 2009).
^[b] Calculated based on a one week transit period in a port and in Canadian waters.
^[c] Evaporative emission from CAS RN 64741-42-0.
^[d] N/A: not applicable as they are exported beyond the jurisdiction of Canada.
^[e] Evaporative emission of each CAS RN 64741-42-0, 64741-69-1, and 64741-78-2. Note that CAS RN 64741-78-2 has a high boiling point and low volatility and this value will apply only to summer months. A factor of 0.7 is used for vapour recovery during loading/unloading (U.S. EPA 2008).

A generic example of the calculation for release quantities by evaporative emission in Table A6.3 is given as follows:

For evaporative emission to air (kg per year):

LL = 12.46 × S × P × M/T (Equation 1 in Chapter 5 of U.S. EPA 2008 for estimating evaporative emission from loading or unloading)
LT = 0.1 × P × W (Equation 5 in Chapter 5 of U.S. EPA 2008 for estimating evaporative emission during transit by ships)
LS = 365 × VV × WV × KE × KS (Equation 1-2 in Chapter 7 of U.S. EPA 2008 for estimating evaporative emission during transit by trains and trucks)
KS = 1/(1 + 0.053 × P × HV) (Equation 1-20 in Chapter 7 of U.S. EPA 2008 for estimating vented vapour saturation factor)

where,
LL = evaporative emission during loading or unloading, lb/103 gal
S = saturation factor, dimensionless
P = vapour pressure of the substance, psia
M = molecular weight of vapours, lb/lb-mole
T = temperature of bulk liquid loaded or unloaded, °R = 460 + °F
LT = evaporative emission from transit by ships, lb/week-103 gal transported
W = density of the condensed vapours, lb/gal
LS = standing storage loss, lb/year
VV = vapour space volume, ft3, based on tank size and loading volume
WV = vapour density, lb/ft3
KE = vapour space expansion factor, dimensionless, 0.07
KS = vapour saturation factor, dimension less
HV = vapour space outage, ft, estimated as half of an effective height for a horizontal tank

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Appendix 7: Summary of health effects information from pooled health effects data for LBPNs

Table A7.1. Critical health effects information on LBPNs

**Oral exposure**
Endpoints	CAS RN (or specific substance)	Effect levels^[a]/results
Acute health effects	Dripolene; Pyrolysis gasoline	LD50: greater than 2000 mg/kg-bw (rat) (Rodriguez and Dalbey 1994a, b).
Acute health effects	68955-35-1	LD50: 3500 mg/kg-bw (rat) (API 2008a).

**Inhalation exposure**
Endpoints	CAS RN (or specific substance)	Effect levels^[a]/results
Acute health effects	8 CAS RNs	LC₅₀: greater than 5 mg/L ( greater than 5000 mg/m3)^[b] (rat) (CONCAWE 1992; API 2008a).
Acute health effects	8052-41-3	LC₅₀: greater than 1400 ppm ( greater than 7936 mg/m3)^[c],^[d](RTECS 2008a)
Acute health effects	8032-32-4	LC₅₀: 3400 ppm (9025 mg/m3)^[c],^[e](rat) (RTECS 2008b).

**Dermal exposure**
Endpoints	CAS RN (or specific substance)	Effect levels^[a]/results
Acute health effects	9 CAS RNs	LD50: greater than 2000 mg/kg-bw (rabbit) (CONCAWE 1992; Rodriguez and Dalbey 1994c, d; API 2008a).
Acute health effects	8030-30-6	LD50: greater than 3000 mg/kg-bw (rabbit) (RTECS 2008c).
Acute health effects	Untreated naphtha	LD50: greater than 3160 mg/kg-bw (rabbit) (Stubblefield et al. 1989).

**Inhalation exposure**
Endpoints	CAS RN (or specific substance)	Effect levels^[a]/results
Short-term and subchronic repeated-exposure health effects	64742-95-6	LOAEC: 500 ppm (1327 mg/m3) for decreased growth rate. Concentrations of 0, 102, 500 or 1514 ppm (0, 271, 1327 or 4019 mg/m3)^[c],^[f]were administered to pregnant CD-1 mice (30 per concentration), 6 hours/day, from GD 6–15; surviving females were sacrificed on GD 18 (systemic effects of developmental health effects study described below). greater than or equal to 1327 mg/m3: Significant decrease in body weight gain; one unexplained mortality. 4019 mg/m3: Maternal mortality (44%). Decreased percent hematocrit and mean corpuscular volume. Abnormal gait, laboured breathing, hunched posture, weakness, inadequate grooming, circling and ataxia (McKee et al. 1990). LOAEC: 1800 mg/m3 for hematological changes. Concentrations of 0, 1800, 3700 or 7400 mg/m3 were administered to rats for 13 weeks. greater than or equal to 1800 mg/m3: Low-grade anemia (females). greater than or equal to 3700 mg/m3:Increased liver and kidney weights (females) (Shell Research Ltd. 1980).
Short-term and subchronic repeated-exposure health effects	64742-48-9	LOAEC: 800 ppm (4679 mg/m3) for hepatic effects. Concentrations of 0, 400 or 800 ppm (0, 2339 or 4679 mg/m3) were administered to male Wistar rats (28 per concentration), 6 hours/day, 7 days/week, for 3 weeks. All concentrations: Increased glutathione levels in the hemisphere (brain). Mucous membrane irritation. Increased relative kidney weight (concentration-dependent) and body weight. 4679 mg/m3: Oxidative stress induction in the brain, kidney and liver. Reactive oxygen species increased in the liver and hippocampus, but decreased in the kidney. Decreased hepatic glutamine synthetase activity. Decreased feed consumption and increased water consumption (Lam et al. 1994).
Short-term and subchronic repeated-exposure health effects	Gasoline^[g]	LOAEC: 500 ppm (1327 mg/m3) for changes in brain enzyme levels. Concentrations of 0 or 500 ppm (0 or 1327 mg/m3)^[c],^[h]were administered to male and female Sprague-Dawley rats (15 of each sex per concentration), 6 hours/day, 5 days/week, for 4 weeks. Included are 5 of each sex per concentration that were allowed 4 weeks of recovery. Increased kidney weight and hepatic ethoxyresorufin O-deethylase activity (males). Elevated lymphocyte counts and serum phosphate (males). Increased heart weight and glucose levels (females). Decreased hemoglobin levels (females). Altered brain biogenic amine levels (dependent on brain region and sex). Increased urinary ascorbic and hippuric acid levels. Most effects returned to control levels after recovery (Chu et al. 2005).
Short-term and subchronic repeated-exposure health effects	8052-41-3	LOAEC: 363 mg/m3 for increased mortality. Concentrations of 114–1271 mg/m3 administered to Long-Evans or Sprague Dawley rats (n = 106), guinea pigs (n = 217), albino New Zealand rabbits (n = 20), male squirrel monkeys (n = 18) and male Beagle dogs (n = 12), continuously for 90 days. greater than or equal to 363 mg/m3: Mortality in guinea pigs (4/15, most susceptible). 1271 mg/m3: Congested lungs, bronchitis and mixed inflammatory cell infiltration in the lungs of all species (Rector et al. 1966). Lowest inhalation LOAEC: 214 mg/m3 for an inflammatory response of the respiratory tract. Concentrations of 0 or 214 mg/m3 were administered to female CD-1 rats (6 per concentration) by head-only exposure, 4 hours/day for 4 consecutive days. 214 mg/m3: Inflammatory cell infiltrate in nasal cavity, trachea and larynx; loss of cilia, hyperplasia of basal cells and squamous metaplasia of trachea and nasal cavity (Riley et al. 1984). LOAEC: 575 mg/m3 for biochemical changes. Concentrations of 0, 575, 2875 or 5750 mg/m3 were administered to male Wistar rats (20 per concentration), 6 hours/day, 5 days/week, for 4, 8, 12 or 17 weeks. greater than or equal to 575 mg/m3: Decreased serum creatine kinase at 17 weeks. Decreased cerebellar succinate dehydrogenase activity from weeks 8–17 (concentration-dependent). greater than or equal to 2875 mg/m3: Changes in cerebellar glutathione levels and creatine kinase activity. Muscle membrane effects were suggested, as muscle membrane sialic and uronic acid residue levels were decreased (Savolainen and Pfaffli 1982).

**Oral exposure**
Endpoints	CAS RN (or specific substance)	Effect levels^[a]/results
Short-term and subchronic repeated-exposure health effects	64742-95-6	Lowest oral LOAEL: 500 mg/kg-bw per day for biochemical changes (both sexes) and decreased growth rate (males). Doses of 500, 750 or 1250 mg/kg-bw per day were administered to male and female rats (10 of each sex per dose) for 3 months. greater than or equal to 500 mg/kg-bw per day: Decreased body weight (males). Dose-related increases in liver and kidney weights and relative weights, as well as increased serum glutamic pyruvic transaminase (males and females). 1250 mg/kg-bw per day: Increased alkaline phosphatase (males) (Bio/Dynamics, Inc. 1991a). Lowest oral LOAEL: 500 mg/kg-bw per day for hematological changes. Doses of 125, 250 or 500 mg/kg-bw per day were administered to male and female Beagle dogs (4 of each sex per dose), 7 days/week for 90 days. 500 mg/kg-bw per day: Borderline anemia (Bio/Dynamics, Inc. 1991b).

**Dermal exposure**
Endpoints	CAS RN (or specific substance)	Effect levels^[a]/results
Short-term and subchronic repeated-exposure health effects	64741-54-4	LOAEL: 200 mg/kg-bw for decreased growth rate. Doses of 200, 1000 or 2000 mg/kg-bw were applied to the shaven skin of male and female rabbits, 3 times/week for 28 days (12 applications total). 200 mg/kg-bw: Slight to moderate and slight skin irritation in males and females, respectively; reduced growth rate (males). 1000 mg/kg-bw: Moderate skin irritation; reduced growth rate (male and female). 2000 mg/kg-bw: Moderate skin irritation; weight loss (females), before reduced growth weight (males) (API 1986g).
Short-term and subchronic repeated-exposure health effects	64742-48-9	LOAEL: 500 mg/kg-bw per day for hematological changes (males) and 1500 mg/kg-bw per day for biochemical changes (males and females). Doses of 0, 500, 1000 or 1500 mg/kg-bw per day were administered to male and female F344 rats (10 of each sex per group), 6 hours/day, 5 days/week, for 4 weeks. 500 mg/kg-bw per day: Dose-dependent increase in white blood cells (due to increase in neutrophils and lymphocytes) in males. 1000 mg/kg-bw per day: Significant decrease in feed consumption (females). 1500 mg/kg-bw per day: Severe erythema, moderate eschar formation, dose-dependent increase in white blood cells (due to increase in neutrophils and lymphocytes) in females, significant decrease in feed consumption (males), mild anemia, decreased serum albumin (9–25%), total serum protein (10–13%) and blood urea nitrogen (9–25%) and increased platelet counts (10–20%) (Zellers 1985).
Short-term and subchronic repeated-exposure health effects	64741-55-5	Lowest dermal LOAEL: 30 mg/kg-bw per day for skin irritation. Doses of 0, 30, 125 or 3000 mg/kg-bw per day were applied to the clipped backs of male and female Sprague-Dawley rats (15 of each sex per dose), 5 days/week for 90 days. All doses: Dose-related increase in skin irritation, erythema and edema at treated sites and histopathological correlates of hyperplasia, inflammation and ulceration. No other effects reported (Mobil 1988a).
Short-term and subchronic repeated-exposure health effects	68955-35-1	LOAEL: 1000 mg/kg-bw per day for increased mortality. Doses of 200, 1000 or 2000 mg/kg-bw per day applied to shaven skin of male and female rabbits, 3 times/week for 28 days (12 applications total). 200 mg/kg-bw per day: Moderate skin irritation. 1000 mg/kg-bw per day: Moderate skin irritation; mortality in 1/5 males. 2000 mg/kg-bw per day: Severe skin irritation; decreased body weight gain and body weight; mortality in 2/5 males with tubular degeneration; granulopoiesis of bone marrow (API 1986h).

**Dermal exposure**
Endpoints	CAS RN (or specific substance)	Effect levels^[a]/results
Chronic repeated-exposure health effects (non-cancer)	Gasoline^[g]	Lowest inhalation LOAEC: 67 ppm (200 mg/m3). Male and female B6C3F1 mice and Fischer 344 albino rats (approximately 6 weeks of age; 100 mice or rats of each sex per group) exposed to 0, 67, 292 or 2056 ppm (0, 200, 870 or 6170 mg/m3, as cited in IARC 1989b) of the test substance (containing 2% benzene) via inhalation, 6 hours/day, 5 days/week, for 103–113 weeks. All concentrations: Ocular discharge and irritation (rats). 870 mg/m3: Increased relative kidney weight (male rats). 6170 mg/m3: Increased absolute and relative kidney weights (male rats) and increased relative kidney weight (female rats). Decreased body weight (rats and male mice). Decreased absolute heart weight (rats) (MacFarland et al. 1984).
Chronic repeated-exposure health effects (non-cancer)	8030-30-6	Lowest dermal LOAEL: 25 mg (neat) (694 mg/kg-bw). Male and female C3H/HeN mice (25 of each sex) exposed to 25 mg (694 mg/kg-bw)^[i],^[j]of the test substance (neat), applied to the shaved skin of the dorsal thoracic region, 3 times/week for 105 weeks. Dermal irritation after 10–15 days. Inflammatory and degenerative skin changes after 6 months (Clark et al. 1988).

**Inhalation exposure**
Endpoints	CAS RN (or specific substance)	Effect levels^[a]/results
Reproductive and developmental health effects	64742-48-9	LOAEC: 800 ppm (4679 mg/m3) for reproductive and developmental toxicity and developmental neurotoxicity. Pregnant Wistar rats exposed to 800 ppm (4679 mg/m3)^[c],^[k]of the test substance, via inhalation, 6 hours/day from GD 7–20. 4679 mg/m3:Decreased number of pups per litter and higher frequency of post-implantation loss. Increased birth weight of pups. 4679 mg/m3:Decreased motor activity (non-significant). No effect observed for neuromotor activity. For learning ability, exposed rats showed behaviour comparable to that of controls at 1 month of age. At 2 months of age, impaired cognitive function (females) and impaired memory (males) were observed. At 5 months of age, learning and memory deficits were observed in both sexes (Hass et al. 2001).
Reproductive and developmental health effects	64741-63-5	Highest NOAEC: 7480 ppm (27 687 mg/m3) for developmental and reproductive toxicity. Female Sprague-Dawley rats (10 per concentration) exposed to 0, 750, 2490 or 7480 ppm (0, 2776, 9217 or 27 687 mg/m3) of the test substance via inhalation, 6 hours/day, 7 days/week, from 2 weeks before mating through to GD 19; and male Sprague-Dawley rats (10 per concentration) exposed to same concentrations, 6 hours/day, 7 days/week, from 2 weeks before mating for 46 consecutive days. Rats sacrificed on postnatal day 4. All concentrations: No effect on reproductive organs (testes, epididymides, ovaries), reproductive performance or fetal development (Schreiner et al. 2000b; API 2008a).

**Oral exposure**
Endpoints	CAS RN (or specific substance)	Effect levels^[a]/results
Reproductive and developmental health effects	64742-95-6	LOAEL: 1250 mg/kg-bw per day for developmental toxicity. Pregnant Sprague-Dawley CD rats (24 per dose) exposed to 0, 125, 625 or 1250 mg/kg-bw per day of the test substance, via gavage, from GD 6–15. Rats sacrificed on GD 20. 1250 mg/kg-bw per day: Reduced fetal body weight and increased incidence of ossification variations. Retardation in ossification of vertebral elements and sternebrae (Bio/Dynamics, Inc. 1991c).
Reproductive and developmental health effects	64741-55-5	NOAEL: 2000 mg/kg-bw for reproductive toxicity and teratogenicity. Pregnant Sprague-Dawley rats exposed to2000 mg/kg-bw of the test substance, via oral exposure, on GD 13 (other refinery streams also tested in separate experiments) to identify and compare any potential direct teratogenic effects that might be obscured by maternal or fetal toxicity resulting from repetitive exposure. Moderate to severe toxicity observed in the first rats treated (although none perished, fetal viability may have been compromised); thus, the test group was limited to five animals. Caesarean sections performed on GD 20 (Stonybrook Laboratories 1995).

**Dermal exposure**
Endpoints	CAS RN (or specific substance)	Effect levels^[a]/results
Reproductive and developmental health effects	68513-02-0	Highest NOAEL: 1000 mg/kg-bw per day for reproductive and developmental toxicity. Pregnant Sprague-Dawley rats (12 per dose, 15 for control) exposed to 0, 100, 500 or 1000 mg/kg-bw per day of the test substance (neat), applied to the shaved skin of the back (not occluded), from GD 0–20. Observation until lactation day 4. Reproductive and developmental effects examined include number of females delivering live litters, gestation length, number of implantation sites, number of litters with live pups, offspring survival at lactation days 0–4, pup sex ratio and pup body weight (ARCO 1994).
Reproductive and developmental health effects	8030-30-6	NOAEL: 25 mg (694 mg/kg-bw per day) for reproductive toxicity. Male and female C3H/HeN mice (25 of each sex) exposed to 25 mg (694 mg/kg-bw per day)^[i],^[j]of the test substance (neat), applied to the shaved skin of the dorsal thoracic region, 3 times/week for 105 weeks. No effects observed in gonads (Clark et al. 1988).

**Dermal exposure**
Endpoints	CAS RN (or specific substance)	Effect levels^[a]/results
Carcinogenicity	8030-30-6	Lowest dermal effect level: 25 mg (694 mg/kg-bw per day). Male and female C3H/HeN mice (42–50 days of age, 25 of each sex) were exposed to 25 mg (694 mg/kg-bw per day)^[i],^[j]of the test substance (neat) applied to the shaved skin of the dorsal thoracic region, 3 times/week for up to 105 weeks. Increased incidence of skin tumours (21%). Tumour incidence: 10/47 in test group (3 squamous cell carcinomas and 7 fibrosarcomas); 0/46 in the negative control group; 49/49 in the positive control group (49 squamous cell carcinomas). Tumours appeared after 94 weeks in the test group and 28 weeks in the positive control group (Clark et al. 1988).
Carcinogenicity	64741-46-4	Highest dermal effect level: 50 mg (1351 mg/kg-bw per day). 50 male C3H/HeJ mice (6–8 weeks of age) were exposed to 50 mg (1351 mg/kg-bw per day)^[i],^[j]of the test substance (neat) applied to the shaved skin of the interscapular region of the back, 2 times/week, until a papilloma greater than 1 mm3 appeared. Increased incidence of skin tumours. Tumour incidence: 11/44 in the test group; 0/50 in the negative control group; 46/48 in the positive control group. Tumours appeared after 85 weeks in the test group and after 46 weeks in the positive control group (Blackburn et al. 1986).

**Dermal exposure (*initiation/promotion*)**
Endpoints	CAS RN (or specific substance)	Effect levels^[a]/results
Carcinogenicity	64741-87-3	Initiation:30 male CD-1 mice (7–9 weeks of age) administered 50 µL (917 mg/kg-bw per day)^[j],^[l],^[m]of the test substance (neat) for 5 consecutive days. After a 2-week rest period, 50 µL of the promoter PMA was administered 2 times/week for 25 weeks. Both substances applied to the shaved dorsal intrascapular skin. Insignificant increase in skin tumours. Tumour incidence: 3/29 in the test group (squamous cell papillomas); 3/30 in the negative control group; 30/30 in the positive control group. Tumours appeared after 20 weeks in the test group and 16 weeks in the negative control group. Promotion: 30 male CD-1 mice (7–9 weeks of age) administered 50 µL of DMBA as a single dose. After a 2-week rest period, 50 µL (917 mg/kg-bw per day)^[j],^[l],^[m]of the test substance was administered, 2 times/week for 25 weeks. Both substances applied to the shaved dorsal intrascapular skin. No increase in skin tumours. Tumour incidence: 0% in the test and negative control groups; 30/30 in the positive control group (Skisak et al. 1994).

**Inhalation exposure (*chronic*)**
Endpoints	CAS RN (or specific substance)	Effect levels^[a]/results
Carcinogenicity	Gasoline^[g]	0, 67, 292 or 2056 ppm (0, 200, 870 or 6170 mg/m3, as cited in IARC 1989b) of the test substance (containing 2% benzene content) administered to male and female B6C3F1 mice and Fischer 344 albino rats (approximately 6 weeks of age, 100 animals of each sex per group), via inhalation, 6 hours/day, 5 days/week, for 103–113 weeks. Increased incidence of hepatocellular tumours (adenomas and carcinomas) in female mice (14%, 19%, 21% and 48%, respectively; final group was statistically significantly different from controls). Increased incidence of renal tumours in female mice (2/100 at the highest concentration). Concentration-related increased incidence of primary renal neoplasms in male rats (n = 0, 1, 5 and 7, respectively). Appearance of tumours not considered statistically significant in male mice and female rats, and renal tumours in male rats are not considered relevant to humans (MacFarland et al. 1984). 0, 10, 69 or 298 ppm (0, 27, 183 or 791 mg/m3)^[c],^[h]of the test substance (PS-6 blend) administered to F344 rats (31 animals of each sex per group) or to a positive control (50 ppm TMP), via inhalation, 6 hours/day, 5 days/week, until sacrifice at 65–67 weeks. Appropriate controls present. No significant increase in number of animals with atypical cell foci for any exposure group. No animals with renal cell tumours observed (part of the initiation/promotion study mentioned below) (Short et al. 1989).

**Inhalation exposure (*initiation/promotion*)**
Endpoints	CAS RN (or specific substance)	Effect levels^[a]/results
Carcinogenicity	Gasoline^[g]	Extended promotion:Male and female F344 rats (8–9 weeks of age, 30 animals of each sex per group) administered EHEN at 170 mg/L in the drinking water for 2 weeks. After a 4-week rest period, 10, 69 or 298 ppm (27, 183 or 791 mg/m3)^[c],^[h]of the test substance (PS-6 blend) or a positive control (50 ppm TMP) was administered, via inhalation, 6 hours/day, 5 days/week, until sacrifice at 65–67 weeks. Appropriate controls present. In males, significant linear trend in number of animals with atypical cell foci, however no significant increase in number of animals with renal cell tumours observed for any exposure group (1, 0, 1 and 2 animals developed tumours, respectively). In females, no significant increase in number of animals with atypical cell foci or renal cell tumours observed for any exposure group (1, 0, 2 and 2 animals developed tumours, respectively) (Short et al. 1989). Promotion: 36female B6C3F1 mice (12 days of age, 12 animals per concentration) administered DEN at 5 mg/kg-bw, via intraperitoneal injection. At 5–7 weeks of age, mice then exposed to the test substance (PS-6 blend), via inhalation, at concentrations of 0, 283 or 2038 ppm (0, 751 or 5410 mg/m3)^[c],^[h], 6 hours/day, 5 days/week, for 16 weeks. Alternatively, the test substance was administered to initiated mice at 2038 ppm (5410 mg/m3) in addition to 1 mg/kg of EE2 in the diet. Significant increases in focal size and volume fraction of altered hepatic foci, as well as the incidence of macroscopic hepatic neoplasms, observed in mice exposed to 2038 ppm of the test substance alone and also for co-exposure to EE2 (10.3-fold and 60-fold increases in tumour incidence, respectively, over control group) (Standeven et al. 1994).

**Inhalation exposure (*initiation/promotion*)**
Endpoints	CAS RN (or specific substance)	Effect levels^[a]/results
Genotoxicity (in vivo)	Gasoline^[g]	Lowest oral LOAEL: 135 mg/kg-bw per day. Positive for RDS: Male and female Fischer 344 rats (3 of each sex per group) exposed to 200 mg/kg-bw per day (for 4 days) or 135 mg/kg-bw per day (for 18 days) of the test substance (PS-6 containing 2% benzene), via oral gavage. Induction of RDS in kidney cells after 4 and 18 days (males only; changes in females not statistically significant) (Loury et al. 1987). Highest oral NOAEL: 5000 mg/kg-bw per day. Negative for UDS: Male Fischer 344 rats (3 per group) exposed to 2000 mg/kg-bw (cells isolated 2 or 12 hours after exposure), 5000 mg/kg-bw (cells isolated 12 or 24 hours after exposure) or 5000 mg/kg-bw per day (for 1–4 days) of the test substance (PS-6), via oral gavage. No induction of UDS in kidney cells (Loury et al. 1987). Inhalation LOAEC: 2000 ppm (5309 mg/m3). Positive for RDS: Male and female Fischer 344 rats (3 of each sex per group) exposed to 2000 ppm (5309 mg/m3)^[c],^[h]of the test substance (PS-6 containing 2% benzene), via inhalation, 6 hours/day for 4 and 18 days (male) or 18 days (female). Induction of RDS in kidney cells after 18 days (males only; changes in females not statistically significant) (Loury et al. 1987).
Genotoxicity (in vivo)	64741-55-5	Intraperitoneal injection LOAEL: 200 mg/kg-bw. Positive for sister chromatid exchange: Male and female mice (5 of each sex per group) were administered 200, 1200 or 2400 mg/kg-bw of the test substance (API 81-03), as a single dose, via intraperitoneal injection. Pairwise comparisons, by sex, of sister chromatid exchanges in bone marrow cells from each treatment group with its vehicle control were significantly different. *Reviewers note that although interaction between the test substance and DNA was demonstrated, it was not considered definitive for clastogenic activity since no genetic material was unbalanced or lost (API 1988a).
Genotoxicity (in vivo)	8052-41-3	Highest inhalation NOAEC: 5 g/m3 (50 000 mg/m3). Negative for micronuclei induction: Four male BALB/c mice exposed to 50 g/m3 (50 000 mg/m3) of white spirit, via inhalation, for five periods of 5 min, spaced by 5 min intervals. No induction of micronuclei in the polychromatic erythrocytes from bone marrow cells in mice (Gochet et al. 1984). Highest intraperitoneal injection NOAEL: 0.1 mL (3710 mg/kg-bw). Negative for micronuclei induction: Male and female BALB/c mice (5 of each sex per group) administered 0.01, 0.05 or0.1 mL (371, 1855 or 3710 mg/kg-bw)^[j],^[l],^[n]of white spirit, as a single dose, via intraperitoneal injection (sacrificed after 30 h). No induction of micronuclei in the polychromatic erythrocytes from bone marrow cells in mice (Gochet et al. 1984).

**Inhalation exposure (*initiation/promotion*)**
Endpoints	CAS RN (or specific substance)	Effect levels^[a]/results
Genotoxicity (in vitro)^[o]	64741-46-4	Negative for mutagenicity (reverse mutations):Salmonella typhimurium TA98 exposed to DMSO extracts of the test substance at concentrations of 0–50 µl/plate, with and without exogenous metabolic activation, using a modified Ames assay (Blackburn et al. 1986). Positive for mutagenicity (reverse mutations):Salmonella typhimurium (strains not identified) exposed to extracts of the test substance (concentrations not identified), with and without exogenous metabolic activation, using a modified Ames assay. Data analysis conducted using non-linear regression (Blackburn et al. 1988).
Genotoxicity (in vitro)^[o]	64741-55-5	Negative for mutagenicity (forward mutations):L5178Y TK+/− mouse lymphoma cells exposed to test substance (API 83-20) at concentrations of 0.05–0.15 µl/mL without exogenous metabolic activation (S9) and 0.2–0.3 µl/mL with S9 (API 1987).
Genotoxicity (in vitro)^[o]	64741-54-4	Positive for mutagenicity (forward mutations):L5178Y TK+/− mouse lymphoma cells exposed to test substance (API 83-18). Details of study not provided (API 1986l).
Genotoxicity (in vitro)^[o]	68410-97-9	Negative for mutagenicity (reverse mutations):Salmonella typhimurium TA98, TA100, TA1535 and TA1537 and Escherichia coli WP2(uvrA) were exposed to the test substance (hydrogenated pyrolysis gasoline) at concentrations of 0, 33, 100, 333, 1000, 3333 or 10 000 µg/plate (3 plates per concentration ± S9), with and without exogenous metabolic activation (male Sprague-Dawley rat liver S9), using the Ames assay (Riccio and Stewart 1991). Negative for UDS: Primary rat hepatocyte cultures derived from male Fischer 344 rats(10 weeks old) exposed to the test substance (hydrogenated pyrolysis gasoline) at concentrations of 8, 16, 32, 64, 128, 256, 512 or 1024 µg/mL for 18 hours, without exogenous metabolic activation. Toxicity observed at 512 and 1024 µg/mL (insufficient cells for UDS analysis); UDS not evident at lower concentrations (Brecher 1984a). Positive for cell transformation:BALB/3T3-A31-1-1 mouse embryo cells exposed to the test substance at concentrations of 100, 250, 500 or 1500 µg/mL (15 cultures per concentration) for 2 days, without exogenous metabolic activation (S9). Toxicity observed at all concentrations (cloning efficiencies of 53.7% at 100 µg/mL to 0% at 1500 µg/mL). Transformation observed at 1500 µg/mL (frequency of 0.36) (Brecher 1984b).
Genotoxicity (in vitro)^[o]	64742-48-9	Negative for cell transformation:BALB/3T3-A31-1-1 mouse embryo cells exposed to the test substance at concentrations of 16, 32, 64 or 200 µg/mL (15 cultures per concentration) for 2 days, without exogenous metabolic activation (S9). Toxicity observed at greater than or equal to 32 µg/mL (cloning efficiencies of 67.2% at 32 µg/mL to 28.8% at 200 µg/mL) (Brecher and Goode 1984b).
Genotoxicity (in vitro)^[o]	8052-41-3	Negative for sister chromatid exchange:Lymphocytes derived from 1 human (male; 2 cultures per concentration) were exposed to the test substance (white spirit) at ratios of 1:1, 1:2, 1:4 and 1:8 for 1 and 24 hours (Gochet et al. 1984).
Genotoxicity (in vitro)^[o]	Gasoline^[g]	Positive for UDS: Hepatocytes derived from 3 male Fischer 344 rats, 2 male B6C3F1 mice and 1 human were exposed to the test substance (PS-6 containing 2% benzene) at concentrations of 0.01–0.33% by volume (rats) and 0.01–0.05% by volume (mice and humans). Maximum induction of UDS occurred at 0.10% by volume for rats (concentration-dependent) (cytotoxicity occurred at higher concentrations). Induction of UDS occurred at 0.01% by volume for mice and humans (cytotoxicity occurred at higher concentrations; thus, a concentration-response trend could not be established) (Loury et al. 1986).

**Inhalation exposure (*initiation/promotion*)**
Endpoints	CAS RN (or specific substance)	Effect levels^[a]/results
Skin irritation	64741-55-5	Primary irritation index: 1.7/8.0 (Draize 24-hour occluded patch test in rabbit skin); moderate skin irritant in rabbits (API 1986b).
Skin irritation	64741-54-4	Primary irritation index: 6.9/8.0 (Draize 24-hour occluded patch test in rabbit skin) (API 1986d).
Skin irritation	64741-63-5	Primary irritation index: 2.0/8.0 (Draize 24-hour occluded patch test in rabbit skin) (API 1985c).
Skin irritation	64741-68-0	Primary irritation index: 5.4/8.0 (Draize 24-hour occluded patch test in rabbit skin) (API 1985b).
Skin irritation	68955-35-1	Primary irritation index: 3.1/8.0 (Draize 24-hour occluded patch test in rabbit skin); moderate skin irritant in rabbits (API 1985a).
Skin irritation	64741-87-3	Primary irritation index: 1.2/8.0 (Draize 24-hour occluded patch test in rabbit skin); mild skin irritant in rabbits (API 1986c).
Skin irritation	64741-66-8	Primary irritation index: 3.9/8.0 (Draize 24-hour occluded patch test in rabbit skin); moderate skin irritant in rabbits (API 1986a).
Skin irritation	Gasoline^[g] Dripolene; Pyrolysis gasoline	Primary irritation index: 0.98/8.0 (Draize 24-hour occluded patch test in rabbit skin); mild skin irritant in rabbits (API 1980a). Unleaded gasoline with or without 3% methanol slightly irritating to rabbit skin in 4-hour semi-occluded patch test (CONCAWE 1992). Non-corrosive after 1- and 4-hour occlusions and 48 hours post-dose and non-irritant (Draize method) in New Zealand White rabbits (three of each sex) when 0.5 mL of test substance applied (Rodriguez and Dalbey 1994e, f).

**Inhalation exposure (*initiation/promotion*)**
Endpoints	CAS RN (or specific substance)	Effect levels^[a]/results
Eye irritation Draize test (rabbit)	64741-55-5	Slight (API 1986b); non-irritant (API 1986b).
Eye irritation Draize test (rabbit)	64741-54-4	Slight (API 1986d).
Eye irritation Draize test (rabbit)	64741-63-5	Slight (API 1985c).
Eye irritation Draize test (rabbit)	64741-68-0	Slight (API 1985b).
Eye irritation Draize test (rabbit)	68955-35-1	Slight (API 1985a); irritant within 1 hour of instillation, gradually resolved over 7 days and not apparent at 14 days (API 1985a).
Eye irritation Draize test (rabbit)	64741-87-3	Slight (CONCAWE 1992); non-irritant (API 1986c, 2008a).
Eye irritation Draize test (rabbit)	64741-66-8	Non-irritant (API 1986a).
Eye irritation Draize test (rabbit)	Gasolineg Dripolene; Pyrolysis gasoline	Non-irritant (API 1980a). Irritant in New Zealand White rabbits (3 of each sex), 0.1 mL of test substance administered to conjunctival sac of left eye; 4/6 rabbits had corneal ulceration, conjunctival redness and swelling, and 2 of these 4 rabbits had corneal opacity and iritis (Rodriguez and Dalbey 1994f, g, h, i).

**Inhalation exposure (*initiation/promotion*)**
Endpoints	CAS RN (or specific substance)	Effect levels^[a]/results
Sensitization^[p] Closed patch technique (guinea pigs)	64741-55-5	Negative (API 1986b).
Sensitization^[p] Closed patch technique (guinea pigs)	64741-54-4	Negative (API 1986d).
Sensitization^[p] Closed patch technique (guinea pigs)	64741-63-5	Negative (API 1986f).
Sensitization^[p] Closed patch technique (guinea pigs)	64741-68-0	Negative (API 1985b).
Sensitization^[p] Closed patch technique (guinea pigs)	68955-35-1	Negative (API 1986e).
Sensitization^[p] Closed patch technique (guinea pigs)	64741-87-3	Negative (API 1986c).
Sensitization^[p] Closed patch technique (guinea pigs)	64741-66-8	Negative (API 1986a).
Sensitization^[p] Closed patch technique (guinea pigs)	Gasoline^[g]	Negative (applied as 50% dilution in mineral oil to reduce irritancy) (API 1980a).

Abbreviations: bw, body weight; DEN, N -nitrosodiethylamine; DMBA, 7,12-dimethylbenzanthracene; DNA, deoxyribonucleic acid; EE2, ethinyl estradiol; EHEN, N -ethyl- N -hydroxyethylnitrosamine; GD, gestation day; PMA, phorbol-12-myristate-13-acetate; RDS, replicative DNA synthesis; TMP, 2,2,4-trimethylpentane; UDS, unscheduled DNA synthesis.
^[a] LC ₅₀ , median lethal concentration; LD ₅₀ , median lethal dose; LOAEC, lowest-observed-adverse-effect concentration; LOAEL, lowest-observed-adverse-effect level; NOAEC, no-observed-adverse-effect concentration; NOAEL, no-observed-adverse-effect level.
^[b] 1 m ³ = 1000 L.
^[c] The following formula was used for conversion of provided values into mg/m ³ : ( x ppm × MM)/24.45.
^[d] Molar mass (MM) of CAS RN 8052-41-3 reported to be 138.6 g/mol (Carpenter et al. 1975).
^[e] The MM of CAS RN 8032-32-4 was not available; therefore, a MM of 64.9 g/mol (gasoline) was used (Roberts et al. 2001).
^[f] The MM of CAS RN 64742-95-6 was not available; therefore, a MM of 64.9 g/mol (gasoline) was used (Roberts et al. 2001).
^[g] Gasoline captures the following CAS RNs: 8006-61-9 and 86290-81-5.
^[h] MM of gasoline reported to be 64.9 g/mol (Roberts et al. 2001).
^[i] The following formula was used for conversion of provided values into mg/kg bw: x mg/kg bw.
^[j] Body weight not provided; thus, laboratory standards from Salem and Katz (2006) were used.
^[k] MM of CAS RN 64742-48-9 reported to be 143 g/mol (Hass et al. 2001).
^[l] The following formula was used for conversion of provided values into mg/kg bw: x mL/kg bw × ρ.
^[m] Density (ρ) of CAS RN 64741-87-3 reported to be 678.2 mg/mL (API 2003d).
^[n] Density (ρ) of CAS RN 8052-41-3 reported to be 779 mg/mL (Gochet et al. 1984).
^[o] Negative result studies described in table correspond to studies with the highest dose/concentration used.
^[p] Poor response in positive control noted.

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Appendices of the Final Screening Assessment Petroleum Sector Stream Approach Low Boiling Point Naphthas [Industry-Restricted] Chemical Abstracts Service Registry Numbers 64741-42-0 64741-69-1 64741-78-2 Environment Canada Health Canada July 2013

Appendices

Appendix 1: Petroleum substance grouping

Appendix 2: Physical and chemical data tables for industry-restricted LBPNs

Appendix 3: Measures designed to prevent, reduce or manage unintentional releases

Appendix 4: Release estimation of industry-restricted LBPNs during transportation

Appendix 5: Modelling results for environment properties of industry-restricted LBPNs

Appendix 6: Modelling results for human exposure to industry-restricted LBPNs

For evaporative emission to air (kg per year):

Appendix 7: Summary of health effects information from pooled health effects data for LBPNs

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