Kerosine (Petroleum)

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CHEMICAL SUBSTANCE DATASHEET

*CHEMICAL SUBSTANCE IDENTIFICATION*
Chemical name	Kerosine (petroleum) (EC list name) [1]
Synonyms
IUPAC name	1-(cyclohexylmethyl)-1-ethylcyclohexane; 3,3-dimethyltetradecane; 3-methylpentadecane; 4-ethyl-2-methyl-4-(pentan-3-yl)octane; [(3-ethylcyclohexyl)methyl]benzene; nonylbenzene; nonylcyclohexane; pentadecane [1]
CAS No	8008-20-6
REACH registration number
EC No	232-366-4
Molecular formula	C₁₂₃H₂₃₈[1]
Substance group/chemical family	UVCB (Unknown or Variable composition, Complex reaction products or Biological materials) Petroleum product (100%)/Hydrocarbons [1]
Appearance Physical state Odour Form Colour	Liquid (100%) at 20°C and 1013 hPa [1] Characteristic odour, similar to that of hydrocarbon fuel [2] transparent, colourless [2]
*USES AND HANDLING ISSUES*
Relevant identified uses	Consumer uses: lubricants and greases, adhesives and sealants, polishes and waxes, anti-freeze products and coating products. Manufacture of: chemicals, fuels. [1]
Handling considerations	General statements Keep out of reach of children. Prevention statements When handling this substance: keep away from heat, sparks, open flames and/or hot surfaces – No smoking; avoid release to the environment; wear protective gloves and/or clothing, and eye and/or face protection as specified by manufacturer/supplier. Response statements In case of incident: If swallowed: immediately call a poison center or doctor/physician. Do not induce vomiting. [1]
*PHYSICO-CHEMICAL PROPERTIES*
Molecular weight
Bulk density/Specific gravity	0.77 - 0.85 g/cm³ @ 15 °C [1], 0.767 @ 20ºC [2] Relative density of the substance was determined to be 0.767 at 20ºC. Relative density of NExBTL renewable diesel (a UVCB substance of similar composition to the substance) is 0.772 at 20ºC. [2]
pH
Particle size	The physical state of the substance is liquid. According to REACH Annex VII column 2 (7.1.4), granulometry is not required for a liquid material. [2]
EC
Melting/Freezing point	-20 °C @ 101 325 Pa [2] Freezing point of the substance was determined to be less than -20 ºC. Freezing point of NExBTL renewable diesel, a UVCB substance of similar composition to the substance, is -20 ºC. [2]
Boiling point	146 - 299 °C @ 101.325 kPa [1], 237 °C @ 101.325 kPa [2] The boiling temperature of the test material was found to range from 125 to 275 ºC at 100.23 - 100.52 Pa. Weighted average (237 ºC) was used as a key value used for chemical safety assessment. For NExBTL renewable diesel (a UVCB substance of similar composition to the substance) boiling temperature range was determined to be 127 - 286 ºC at 100.44 - 100.5 kPa. [2]
Flash point	29 - 70 °C @ 101.325 kPa [1], 48 ºC @ 101.325 kPa [2] The flash point of the substance was determined to be 48 ºC. The flash point of NExBTL renewable diesel (a UVCB substance of similar composition to the substance) is 64 ºC. [2]
Flammability	The flash point of the substance is 48 ºC hence it is flammable according to CLP regulation No 1272/2008. [2]
Vapour density
Vapour pressure	10 - 37 hPa @ 37.8 °C [1], 43 Pa @ 25ºC [2] Vapour pressure of the substance was determined to be 43 Pa at 25ºC. Vapour pressure of NExBTL renewable diesel (a UVCB substance of similar composition to the substance) is 87.1 Pa at 25ºC. [2]
Solubility in water	The water solubility of the substance was estimated to be less than 1 mg/l. According to REACH Annex VII column 2 (7.6) substances with water solubility less than 1 mg/l need not be tested for surface tension. [2]
Solubility in organic solvents	it can be assumed to be stable in organic solvents. [2] The stability of NExBTL renewable diesel was investigated in a polar organic solvent (methanol) and a non-polar organic solvent (hexane) over a 30 day period at 25 ± 2ºC. The concentration of test material in the sample solutions was determined by gas chromatography (GC). The study was performed n a GLP laboratory. The test material was determined to be stable both in a polar organic solvent (methanol) and a non-polar organic solvent (hexane) and is thus soluble to organic solvents. Since the substance is a UVCB substance of similar composition to NExBTL renewable diesel, it can be assumed to be stable in organic solvents. [2]
Solubility in inorganic solvents
Hydrolysis	The chemical constituents that comprise the kerosine category consist entirely of carbon and hydrogen and do not contain hydrolyzable groups. As such, they have a very low potential to hydrolyze. [4]
Ionicity in water
Surface tension	The water solubility of the substance was estimated to be less than 1 mg/l. According to REACH Annex VII column 2 (7.6) substances with water solubility less than 1 mg/l need not be tested for surface tension. [2]
Dispersion properties
Explosiveness	non-explosive [2] The explosive properties of NExBTL renewable diesel were determined using Method A14 Explosive Properties of Commission Regulation (EC) No 440/2008 of 30 May 2008. It was determined not to have explosive properties. Since the substance is a UVCB substance of similar composition to NExBTL renewable diesel, it can also be assumed to be non explosive. [2]
Other properties	Autoflammability / self-ignition: 202 °C at 101 325 Pa [2] The auto-ignition temperature of the substance is 202 ºC and the auto-ignition temperature of NExBTL renewable diesel (a UVCB substance of similar composition to the substance) was determined to be 204 ºC. Viscosity: 3.27 mm²/s (static)[2] The viscosity was determined in a GLP laboratory using a procedure specified in Method 114 of the OECD Guidelines for Testing of Chemicals, 12 May 1981. The viscosity of the test material was found to be 3.27 mm2/s at 20.0 ± 0.5ºC and 2.25 mm2/s at 40.0 ± 0.5ºC. [2]
*Stability and reactivity*
Chemical stability
Reactivity hazards
Corrosivity
Polimerization
Incompatibility with various substances
Special remarks on reactivity	not oxidising [2] The oxidising properties of NExBTL renewable diesel were predicted using Method A21 Oxidising Properties (Liquids) of Commission Regulation (EC) No 440/2008 of 30 May 2008. The study was performed in a GLP laboratory. The structure of the test material was assessed for chemical groups that would imply oxidising properties. Based on the alkanes, C10– C20 branched and linear, structure of NExBTL renewable diesel, it is concluded that the material is not oxidising. Since the substance is a UVCB substance of similar composition to NExBTL renewable diesel, it is concluded that it also is not oxidising. [2]
*Physical, chemical and biological coefficient*
Koc
Log Kow (Log Pow)	7.5 [2] ≥5.91 to ≤7.2 at 35°C and pH 7.7 (measured) [3] 5.11 - 9.18 at 20°C (QSAR) [3] The partition coefficient of the test material was found to range from 1.69 x 10E6 to >3.16 x 10E6, i.e. from logPow 6.23 to > 6.50. Octanol-water coefficients (Log Kow) of the main substance components (contributing > 99 % of the total weight by volume) and NExBTL renewable diesel components (contributing > 98.5 % of the total weight by volume) were determined using KOWWIN program developed by U.S. Environmental Protection Agency. LogKow of the individual components range from 2.8 to 10.1 with the weighted average being 7.5 for the substance and 8.4 for NExBTL renewable diesel. [2] The substance is a hydrocarbon UVCB. Partition coefficient of the substance was determined to be in the range ≥8.2 x 10⁵to ≤1.58 x 10⁷(log₁₀ P_ow ≥5.91 to ≤7.2) at 35°C and pH 7.7. The result was considered to be reliable but the results are not useful for chemical safety assessment. As supporting information, the log K_owfor individual constituents of Hydrocarbons, C12-C15, n-alkanes, isoalkanes, <2% aromatcis have been predicted using a validated QSAR estimation method. The prediction method uses a fragment method and log K_owincreases with increasing carbon number. The individual constituents of the substance have predicted log K_owvalues in the range 5.11 - 9.18 at 20°C. [3]
pKa
log Kp
Henry-constant
*ENVIRONMENTAL FATE AND BEHAVIOUR*
Artificial pollution sources
General terrestrial fate
General aquatic fate
General atmospheric fate
General persistence and degradability	Diesel / gas oil fractions do not meet the persistence criteria and can be regarded as being inherently biodegradable [6].
Abiotic degradation and metabolites
Biodegradation and metabolites	Kerosines are readily to inherently biodegradable. In the supporting OECD 301 study, naphtha solvents were readily biodegraded in 28 days but not within the 10 day window. The mean of three samples was 61% theoretical biological oxygen demand on Day 28 (Shell, 1997). In a valid OECD 301F supporting study Kerosine Mid-Blend was not considered readily biodegradable in 28 days, with less than 60% degradation on day 28 (58.6%). However, according to EPA guidance for biodegradability, it is considered inherently biodegradable since significant degradation occurred (Mobil, 1999). On the basis of this and from the known properties of hydrocarbons in the range C9 to C16, in their environmental classification report CONCAWE considered that kerosines are not readily biodegradable, but as they can be degraded by micro-organisms, they are regarded as being inherently biodegradable [4, 5].
Bioconcentration	Aquatic / sediment bioaccumulation: Substance is a hydrocarbon UVCB. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint has been calculated for representative hydrocarbon structures using the BCFWIN v2.16 model within EPISuite 3.12 as input to the hydrocarbon block method incorporated into the PETRORISK model. The predicted BCFs for hydrocarbons are generally overly conservative since biotransformation is not quantitatively taken into account. Therefore, indirect exposure and resulting risk estimates predicted by PETRORISK are likely to be overestimated [4]. Terrestrial bioaccumulation: Substance is a hydrocarbon UVCB. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint has been calculated for representative hydrocarbon structures using default algorithms in the EUSES model as input to the hydrocarbon block method incorporated into the PETRORISK model. The predicted BCFs for hydrocarbons are generally overly conservative since biotransformation is not quantitatively taken into account. Therefore, indirect exposure and resulting risk estimates predicted by PETRORISK are likely to be overestimated. [4]
Volatilization
Photolysis	Standard tests for atmospheric oxidation half-lives are intended for single substances and are not appropriate for this complex substance. [4] This substance contains hydrocarbon molecules that absorb UV light below 290 nm, a range of UV light that does not reach the earth's surface. Therefore, this substance does not have the potential to undergo photolysis in water and soil, and this fate process will not contribute to a measurable degradative loss of this substance from the environment. [4]
Hydrolysis	The available data and available weight of evidence demonstrate that kerosines are resistant to hydrolysis because they lack a functional group that is hydrolytically reactive. Therefore, this fate process will not contribute to a measurable degradative loss of these substances from the environment. Further testing is not required under Annex XI, section 1.2. [4]
Soil adsorption and mobility	Substance is a hydrocarbon UVCB. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint is characterized using quantitative structure property relationships for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with the PETRORISK model [4].
*ENVIRONMENTAL CONCENTRATIONS*
Measured data	Release to the environment of this substance can occur from industrial use: in processing aids at industrial sites, of substances in closed systems with minimal release, as an intermediate step in further manufacturing of another substance (use of intermediates), formulation of mixtures, as processing aid, in the production of articles, as processing aid, for thermoplastic manufacture and manufacturing of the substance. [1]
*ECOTOXICOLOGICAL INFORMATION*
*General adverse effects on ecosystem*
Acute toxicity (LC50, EC50)
Aquatic systems	LL50 (4 days) 2 - 5 mg/L (freshwater fish) (4 days) [1] EL50 (48 h) 1.4 mg/L (aquatic invertebrates) [1] EL50 (24 h) 4.6 mg/, (aquatic invertebrates) [1]
Terrestrial systems
Chronic toxicity (NOEC, LOEC)
Aquatic systems	EC10 / LC10 or NOEC: 820 µg/L (freshwater fish) [1]
Terrestrial systems
*HUMAN HEALTH EFFECTS and PROTECTION*
Routes of human exposures
General effects
Endocrine disruption
Mutagenicity
Carcinogenicity
Reprotoxicity
Teratogenicity
Skin, eye and respiratory irritations	Skin sensitisation: No adverse effect observed (not sensitising) [1]
Metabolism: absorption, distribution & excretion	Low bioaccumulation potential [1]
Exposure limits	DNEL: 18.75 mg/kg bw/day (general population, oral exposure, systemic effects, repeated dose toxicity) [1]
Drinking water MAC
Other information	Genetic toxicity: No adverse effect observed (negative) [1]

*Animal toxicity data*
Acute toxicity (LD50)	LD50: 5 000 mg/kg bw (rat, oral) No adverse effect observed [1] LC50: 5 280 mg/m³ (rat, inhalation) [1] LD50: 2 000 mg/kg bw (rabbit, dermal) [1]
Chronic toxicity (NOEL, LOEL)	NOAEL: 750 mg/kg bw/day (rat, oral route – repeated dose toxicity) [1] NOAEL: 495 mg/kg bw/day (rat, dermal route, subchronic, - systemic effects) - No adverse effect observed [1] LOAEL: 165 mg/kg bw/day ( rat, dermal route, subchronic - local effects) - Adverse effect observed [1] NOAEC: 1 000 mg/m³ ( rat, inhalation, subchronic - systemic effects), no adverse effect observed [1] NOAEC: 1 000 mg/m³ ( rat, inhalation, subchronic – local effects), no adverse effect observed [1] NOAEL: 1 500 mg/kg bw/day (rat, oral, subchronic, effect on fertility), no adverse effect observed [1] NOAEL: 494 mg/kg bw/day (rat, dermal, subchronic, effect on fertility), no adverse effect observed [1] NOAEC : 1 000 mg/m³ ((rat, inhalation, subchronic, effect on fertility), no adverse effect observed [1] NOAEL: 1 000 mg/kg bw/day (rat, oral, subacute, effect on developmental toxicity), no adverse effect observed [1] NOAEC 1 000 mg/m³ (rat, inhalation, subacute, neurotoxicity) no adverse effect observed [1] NOAEL 495 mg/kg bw/day (rat, dermal, subacute, immunotoxicity) no adverse effect observed [1]
*ENVIRONMENTAL STANDARDS AND REGULATIONS*
REACH/CLP	Danger! According to the harmonised classification and labelling (CLP00) approved by the European Union, this substance may be fatal if swallowed and enters airways. Additionally, the classification provided by companies to ECHA in REACH registrations identifies that this substance is toxic to aquatic life with long lasting effects, is a flammable liquid and vapour, causes skin irritation and may cause drowsiness or dizziness. [1] *According to REACH registrations and CLP notifications:* H304: May be fatal if swallowed and enters airways. H226: Flammable liquid and vapour. H315: Causes skin irritation. H411: Toxic to aquatic life with long-lasting effects. H336: May cause drowsiness and dizziness.
EINECS regulation	listed on EINECS (European INventory of Existing Commercial chemical Substances) List
OSHA regulations etc.

*OTHER INFORMATION, SPECIAL REMARKS*
Classification and proposed labelling with regard to toxicological data

*CREATED, LAST UPDATE*
Created	2019. 11. 28
Last update	2020. 05. 22
*REFERENCES*
[1] ECHA, Kerosene, https://echa.europa.eu/hu/brief-profile/-/briefprofile/100.029.422 , Accessed 2019.11.29 [2] ECHA, Renewable hydrocarbons (kerosene type fraction) https://echa.europa.eu/registration-dossier/-/registered-dossier/26458/4/2, Accessed 2020.05.22 [3] ECHA, Hydrocarbons, C12-C15, n-alkenes, isoalkenes, https://echa.europa.eu/registration-dossier/-/registered-dossier/5833/4/8, Accessed 2020.05.22 [4] ECHA, Kerosine (petroleum) https://echa.europa.eu/hu/registration-dossier/-/registered-dossier/15567/5/3/1, Accessed 2020.05.22 [5] CONCAWE REPORT, 2001, Environmental classification of petroleum substances - summary data and rational. Report No 01/54. Concawe Brussels.https://www.concawe.eu/wp-content/uploads/2017/01/2002-00238-01-e.pdf, Accessed 2020.05.22 [6]CONCAWE REPORT, 2012, An evaluation of the Persistence, Bioaccumulation and Toxicity of Petroleum Hydrocarbons (revised)

Hydrocarbons

General statements

Prevention statements

Response statements