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EC number: 286-061-6 | CAS number: 85186-76-1
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Principles of method if other than guideline:
- Calculation based on BCFBAF v3.01, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): C14 component of Fatty acids, C14-18 and C18-unsatd., branched and linear, 2-ethylhexyl esters
- Molecular formula (if other than submission substance): C22 H44 O2
- Molecular weight (if other than submission substance): 340.60
- Smiles notation (if other than submission substance): O=C(OCC(CCCC)CC)CCCCCCCCCCCCC
- Analytical purity: not applicable - Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- other: Calculation
- Water / sediment media type:
- natural water: freshwater
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Estimation software: BCFBAF v3.01
- Result based on calculated log Kow: 9.63 (estimated, KOWWIN v.1.68) - Key result
- Type:
- BCF
- Value:
- 173 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: Regression based estimate
- Details on results:
- For detailed describtion on the model and its applicability, see "Any other information on materials and methods incl. tables".
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- Validated QSAR model. These models have no universally accepted definition of model domain, but since the substance is outside the Kow range of the training set, the results should be taken with caution. The definite values may not be fully reliable, but indicate a low bioaccumulation potential.
- Principles of method if other than guideline:
- Calculation based on BCFBAF v3.01, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): C14 component of Fatty acids, C14-18 and C18-unsatd., branched and linear, 2-ethylhexyl esters
- Molecular formula (if other than submission substance): C22 H44 O2
- Molecular weight (if other than submission substance): 340.60
- Smiles notation (if other than submission substance): O=C(OCC(CCCC)CC)CCCCCCCCCCCCC
- Analytical purity: not applicable - Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- other: Calculation
- Water / sediment media type:
- natural water: freshwater
- Key result
- Type:
- BAF
- Value:
- 219 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: Arnot Gobas (including biotransformation rate estimates, upper trophic)
- Key result
- Type:
- BCF
- Value:
- 3.869 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: Arnot Gobas (including biotransformation rate estimates, upper trophic)
- Details on results:
- For detailed describtion on the model and its applicability, see "Any other information on materials and methods incl. tables".
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Principles of method if other than guideline:
- Calculation based on BCFBAF v3.01, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): C16 component of Fatty acids, C14-18 and C18-unsatd., branched and linear, 2-ethylhexyl esters
- Molecular formula (if other than submission substance): C24 H48 O2
- Molecular weight (if other than submission substance): 368.65
- Smiles notation (if other than submission substance): O=C(OCC(CCCC)CC)CCCCCCCCCCCCC
- Analytical purity: not applicable - Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- other: Calculation
- Water / sediment media type:
- natural water: freshwater
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Estimation software: BCFBAF v3.01
- Result based on calculated log Kow: 9.63 (estimated, KOWWIN v.1.68) - Key result
- Type:
- BCF
- Value:
- 57.2 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: Regression based estimate
- Details on results:
- For detailed describtion on the model and its applicability, see "Any other information on materials and methods incl. tables".
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- Validated QSAR model. These models have no universally accepted definition of model domain, but since the substance is outside the Kow range of the training set, the results should be taken with caution. The definite values may not be fully reliable, but indicate a low bioaccumulation potential.
- Principles of method if other than guideline:
- Calculation based on BCFBAF v3.01, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): C16 component of Fatty acids, C14-18 and C18-unsatd., branched and linear, 2-ethylhexyl esters
- Molecular formula (if other than submission substance): C24 H48 O2
- Molecular weight (if other than submission substance): 368.65
- Smiles notation (if other than submission substance): O=C(OCC(CCCC)CC)CCCCCCCCCCCCC
- Analytical purity: not applicable - Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- other: Calculation
- Water / sediment media type:
- natural water: freshwater
- Key result
- Type:
- BAF
- Value:
- 126 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: Arnot Gobas (including biotransformation rate estimates, upper trophic)
- Key result
- Type:
- BCF
- Value:
- 1.475 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: Arnot Gobas (including biotransformation rate estimates, upper trophic)
- Details on results:
- For detailed describtion on the model and its applicability, see "Any other information on materials and methods incl. tables".
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- Validated QSAR model. These models have no universally accepted definition of model domain, but since the substance is outside the Kow range of the training set, the results should be taken with caution. The definite values may not be fully reliable, but indicate a low bioaccumulation potential.
- Principles of method if other than guideline:
- Calculation based on BCFBAF v3.01, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- Specific details on test material used for the study:
- - SMILES : O=C(OCC(CCCC)CC)CCCCCCCCCCCCCCCCC
- CHEM : C18 FA 2-ethylhexyl ester
- MOL FOR: C26 H52 O2
- MOL WT : 396.70
- Analytical purity: not applicable - Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- other: Calculation
- Water / sediment media type:
- natural water: freshwater
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Estimation software: BCFBAF v3.01
- Result based on calculated log Kow: 9.63 (estimated, KOWWIN v.1.68) - Key result
- Type:
- BCF
- Value:
- 18.9 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: Regression based estimate
- Details on results:
- For detailed describtion on the model and its applicability, see "Any other information on materials and methods incl. tables".
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- Validated QSAR model. These models have no universally accepted definition of model domain, but since the substance is outside the Kow range of the training set, the results should be taken with caution. The definite values may not be fully reliable, but indicate a low bioaccumulation potential.
- Principles of method if other than guideline:
- Calculation based on BCFBAF v3.01, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- Specific details on test material used for the study:
- - SMILES : O=C(OCC(CCCC)CC)CCCCCCCCCCCCCCCCC
- CHEM : C18 FA 2-ethylhexyl ester
- MOL FOR: C26 H52 O2
- MOL WT : 396.70
- Analytical purity: not applicable - Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- other: Calculation
- Water / sediment media type:
- natural water: freshwater
- Key result
- Type:
- BAF
- Value:
- 62.75 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: Arnot Gobas (including biotransformation rate estimates, upper trophic)
- Key result
- Type:
- BCF
- Value:
- 1.005 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: Arnot Gobas (including biotransformation rate estimates, upper trophic)
- Details on results:
- For detailed describtion on the model and its applicability, see "Any other information on materials and methods incl. tables".
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- Validated QSAR model. These models have no universally accepted definition of model domain, but since the substance is outside the Kow range of the training set, the results should be taken with caution. The definite values may not be fully reliable, but indicate a low bioaccumulation potential.
- Principles of method if other than guideline:
- Calculation based on BCFBAF v3.01, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- Specific details on test material used for the study:
- - SMILES : O=C(OCC(CCCC)CC)CCCCCCCC=CCCCCCCCC
- CHEM : C18 unsatd FA 2-ethylhexyl ester
- MOL FOR: C26 H50 O2
- MOL WT : 394.69
- Analytical purity: not applicable - Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- other: Calculation
- Water / sediment media type:
- natural water: freshwater
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Estimation software: BCFBAF v3.01
- Result based on calculated log Kow: 9.63 (estimated, KOWWIN v.1.68) - Key result
- Type:
- BCF
- Value:
- 24.1 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: Regression based estimate
- Details on results:
- For detailed describtion on the model and its applicability, see "Any other information on materials and methods incl. tables".
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- Validated QSAR model. These models have no universally accepted definition of model domain, but since the substance is outside the Kow range of the training set, the results should be taken with caution. The definite values may not be fully reliable, but indicate a low bioaccumulation potential.
- Principles of method if other than guideline:
- Calculation based on BCFBAF v3.01, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- Specific details on test material used for the study:
- - SMILES : O=C(OCC(CCCC)CC)CCCCCCCC=CCCCCCCCC
- CHEM : C18 unsatd FA 2-ethylhexyl ester
- MOL FOR: C26 H50 O2
- MOL WT : 394.69
- Analytical purity: not applicable - Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- other: Calculation
- Water / sediment media type:
- natural water: freshwater
- Key result
- Type:
- BAF
- Value:
- 160.9 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: Arnot Gobas (including biotransformation rate estimates, upper trophic)
- Key result
- Type:
- BCF
- Value:
- 1.116 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: Arnot Gobas (including biotransformation rate estimates, upper trophic)
- Details on results:
- For detailed describtion on the model and its applicability, see "Any other information on materials and methods incl. tables".
- Endpoint:
- bioaccumulation: aquatic / sediment
- Type of information:
- other: handbook data
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Handbook data
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- not applicable: handbook data
- GLP compliance:
- no
- Test organisms (species):
- other: not applicable
- Route of exposure:
- other: not applicable
- Remarks on result:
- other: Not applicable, handbook data.
- Endpoint:
- bioaccumulation: aquatic / sediment
- Type of information:
- other: review article
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Acceptable, well documented publication which meets basic scientific principles.
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Review article describing the metabolism and functions of lipids and fatty acids in fish. Both play major roles as source of metabolic energy in processes as growth and reproduction.
- GLP compliance:
- no
- Test organisms (species):
- other: Fish
- Route of exposure:
- other: not applicable, review article
- Test type:
- other: not applicable, review article
- Remarks on result:
- other: The article includes information on the basic biochemistry (distinctions between chain lengths and degree of unsaturation), metabolic processes (biosynthesis and catabolism) and functions of fatty acids (and lipids they are part of)
- Remarks:
- available for different fish species.
Referenceopen allclose all
Estimated Log BCF (mid trophic) = 0.701 (BCF = 5.027 L/kg wet-wt)
Estimated Log BAF (mid trophic) = 2.809 (BAF = 644.8 L/kg wet-wt)
Estimated Log BCF (lower trophic) = 0.737 (BCF = 5.457 L/kg wet-wt)
Estimated Log BAF (lower trophic) = 3.088 (BAF = 1225 L/kg wet-wt)
Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):
Estimated Log BCF (upper trophic) = 2.283 (BCF = 191.7 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 5.983 (BAF = 9.607e+005 L/kg wet-wt)
Biotransformation Rate Constant:
kM (Rate Constant): 0.1068 /day (10 gram fish)
kM (Rate Constant): 0.06004 /day (100 gram fish)
kM (Rate Constant): 0.03376 /day (1 kg fish)
kM (Rate Constant): 0.01899 /day (10 kg fish)
Bio Half-Life Normalized to 10 g fish at 15 deg C: 6.49 days
Estimated Log BCF (mid trophic) = 0.239 (BCF = 1.733 L/kg wet-wt)
Estimated Log BAF (mid trophic) = 2.342 (BAF = 219.8 L/kg wet-wt)
Estimated Log BCF (lower trophic) = 0.261 (BCF = 1.824 L/kg wet-wt)
Estimated Log BAF (lower trophic) = 2.492 (BAF = 310.2 L/kg wet-wt)
Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):
Estimated Log BCF (upper trophic) = 1.334 (BCF = 21.56 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 5.021 (BAF = 1.049e+005 L/kg wet-wt)
Example: if needed for discussion you can include the biotransformation rate constant and half-life:
Biotransformation Rate Constant:
kM (Rate Constant): 0.05625 /day (10 gram fish)
kM (Rate Constant): 0.03163 /day (100 gram fish)
kM (Rate Constant): 0.01779 /day (1 kg fish)
kM (Rate Constant): 0.01 /day (10 kg fish)
Bio Half-Life Normalized to 10 g fish at 15 deg C: 12.3 days
Estimated Log BCF (mid trophic) = 0.036 (BCF = 1.086 L/kg wet-wt)
Estimated Log BAF (mid trophic) = 1.842 (BAF = 69.55 L/kg wet-wt)
Estimated Log BCF (lower trophic) = 0.046 (BCF = 1.111 L/kg wet-wt)
Estimated Log BAF (lower trophic) = 1.872 (BAF = 74.52 L/kg wet-wt)
Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):
Estimated Log BCF (upper trophic) = 0.485 (BCF = 3.055 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 4.041 (BAF = 1.099e+004 L/kg wet-wt)
Biotransformation Rate Constant:
kM (Rate Constant): 0.02964 /day (10 gram fish)
kM (Rate Constant): 0.01667 /day (100 gram fish)
kM (Rate Constant): 0.009372 /day (1 kg fish)
kM (Rate Constant): 0.00527 /day (10 kg fish)
Bio Half-Life Normalized to 10 g fish at 15 deg C: 23.39 days
Estimated Log BCF (mid trophic) = 0.093 (BCF = 1.24 L/kg wet-wt)
Estimated Log BAF (mid trophic) = 2.197 (BAF = 157.4 L/kg wet-wt)
Estimated Log BCF (lower trophic) = 0.107 (BCF = 1.281 L/kg wet-wt)
Estimated Log BAF (lower trophic) = 2.192 (BAF = 155.7 L/kg wet-wt)
Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):
Estimated Log BCF (upper trophic) = 0.647 (BCF = 4.438 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 4.256 (BAF = 1.802e+004 L/kg wet-wt)
Biotransformation Rate Constant:
kM (Rate Constant): 0.02418 /day (10 gram fish)
kM (Rate Constant): 0.0136 /day (100 gram fish)
kM (Rate Constant): 0.007646 /day (1 kg fish)
kM (Rate Constant): 0.0043 /day (10 kg fish)
Bio Half-Life Normalized to 10 g fish at 15 deg C: 28.67 days
"Fatty acid degradation and synthesis are relatively simple processes [...]. The process of degradation converts an aliphatic compound into a set of activated acetyl units (acetyl CoA) that can be processed by the citric acid cycle." p.601
"Free fatty acids and monoglycerides are absorbed by intestinal epithelial cells. Triacylglycerols are resynthesized and packaged with other lipids and apoprotein B-48 to form chylomicrons, which are then released into the lymph system [...] and then released into the blood. These particles bind to membrane-bound lipoprotein lipases [...] where the triacylglycerols are once again degraded into free fatty acids and monoglycerol for transport into the tissue. The triacylglycerols are then resynthesized inside the cell and stored." p. 605
- Fatty acid catabolism is the predominant source of energy in many species of fish. The catabolism of fatty acids occurs in the cellular organelles, mitochondria (and peroxisomes). The process is termed beta-oxidation and involves the sequential cleavage of two-carbon units, released as acetyl-CoA, through a cyclic series of reactions catalyzed by several distinct enzyme activities. Activated fatty acids are transported to the mitochondrion in the form of fatty acyltransferase, converted back into fatty acyl-CoA derivatives, and then undergo a round of dehydrogenation, hydration, second hydrogenation, and cleavage steps to produce acetyl-CoA and NADH. Then, the acetyl-CoA can be metabolized via the tricarboxylic cycle to produce more NADH. The NADH will eventually lead to the release of ATP through the process of oxidative phosphorilation, available to be used as energy source.
- Fatty acid oxidation is an important source of energy in several tissues in fish (heart, red muscles, etc). Furthermore, fatty acids are the major source of metabolic energy in the development from egg to adult fish and also during reproduction and lipid depletion processes, such as migrations. They are also involved in the maintainance of the structure and function of cellular biomembranes (as part of phosphoglycerides).
Description of key information
The BCF of the "isostearate 2 -ethyl-hexyl" estimated with the BCFWin program is between 18.9 to 173 L/kg whole body w.w. (method based on log Kow) when the components with fatty acid chains length between C14 and C18, C18 unsatd. are taken into account. The Arnot-Gobas model gives BCF between 1 to 3.9 L/kg whole body w.w. and BAF between 62.7 to 219 L/kg whole body w.w.
The calculated BCF ≤ 173 L/kg for fish is considered as representative of the registered substance which is not bioaccumulable.
Key value for chemical safety assessment
- BCF (aquatic species):
- 173 L/kg ww
Additional information
No studies investigating the bioaccumulation of “Isostearate 2-ethylhexyl (=Fatty acids, C14-18 and C18 unsatd., branched and linear, 2-ethylhexyl esters (CAS 85186-76-1)) are available. Using the BCFWin program, the BCF values of 173, 57.2, 24.1 and 18.9 L/kg were calculated for the C14, C16, C18 and C18 unsatd. constituents, respectively (regression method based on log Kow). With this method the components C18 and C18 unsatured, 2-Ethylhexyl esters were outside the application domain. However the log Kow of these 2 components were just above the highest value of the training set with 11.59 and 11.38 compared to the threshold of 11.26. Therefore a very low bioconcentration factor can be anticipated.
Using the Arnot-Gobas program, which integrates the metabolic transformation in fish and the exposure through the water and the diet, BCF values were found between 3.9 and 1 L/kg and BAF between 63 and 219 L/kg. However the fatty acids C14 to C18, C18 unsatd 2-Ethylhexyl esters are outside the Kow range of the training set. So these results should be taken with caution. The definite values may not be fully reliable, however confirm a very low bioconcentration and bioaccumulation potential.
The branched chains were not taken into account because no precise information on these structures are available. Nevertheless simulation done with the BCFWin program can demonstrate that the branching of the alkyl chain has very little impact on the BCF.
It can be assumed that the BCF of the Isostearate 2-ethylhexyl is low and can be represented by the calculated value ≤ 173 L/kg.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.