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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
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption, other
- Remarks:
- QSARs
- 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:
- the substance is outside the Kow range of the training set, so the results should be taken with caution. The definite values may not be fully reliable, but indicate a high adsorption potential, which can be taken into account for further assessments. Therefore, it can be assumed that the adsorption potential of the substance is high.
- Principles of method if other than guideline:
- Calculation based on KOCWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- Type of method:
- other: calculation
- Media:
- soil
- 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 - Key result
- Type:
- log Koc
- Value:
- 5.42
- Temp.:
- 25 °C
- Remarks on result:
- other: based on MCI
- Key result
- Type:
- Koc
- Value:
- 264 800 L/kg
- Temp.:
- 25 °C
- Remarks on result:
- other: based on MCI
- Endpoint:
- adsorption / desorption, other
- Remarks:
- QSARs
- 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:
- the substance is outside the Kow range of the training set, so the results should be taken with caution. The definite values may not be fully reliable, but indicate a high adsorption potential, which can be taken into account for further assessments. Therefore, it can be assumed that the adsorption potential of the substance is high.
- Principles of method if other than guideline:
- Calculation based on KOCWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- Type of method:
- other: calculation
- Media:
- soil
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): C18 component of Fatty acids, C14-18 and C18-unsatd., branched and linear, 2-ethylhexyl esters
- Molecular formula (if other than submission substance): C26 H52 O2
- Molecular weight (if other than submission substance): 396.70
- Smiles notation (if other than submission substance): O=C(OCC(CCCC)CC)CCCCCCCCCCCCC
- Analytical purity: not applicable - Key result
- Type:
- log Koc
- Value:
- 6.5 dimensionless
- Temp.:
- 25 °C
- Remarks on result:
- other: based on MCI
- Key result
- Type:
- Koc
- Value:
- 2 921 000 L/kg
- Temp.:
- 25 °C
- Remarks on result:
- other: based on MCI
- Endpoint:
- adsorption / desorption, other
- Remarks:
- QSARs
- 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:
- the substance is outside the Kow range of the training set, so the results should be taken with caution. The definite values may not be fully reliable, but indicate a high adsorption potential, which can be taken into account for further assessments. Therefore, it can be assumed that the adsorption potential of the substance is high.
- Principles of method if other than guideline:
- Calculation based on KOCWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- Type of method:
- other: calculation
- Media:
- soil
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): C18 unsatd. component of Fatty acids, C14-18 and C18-unsatd., branched and linear, 2-ethylhexyl esters
- Molecular formula (if other than submission substance): C26 H50 O2
- Molecular weight (if other than submission substance): 394.69
- Smiles notation (if other than submission substance): O=C(OCC(CCCC)CC)CCCCCCC=CCCCCCCCCC
- Analytical purity: not applicable - Key result
- Type:
- log Koc
- Value:
- 6.5
- Temp.:
- 25 °C
- Remarks on result:
- other: based on MCI
- Key result
- Type:
- Koc
- Value:
- 2 921 000 L/kg
- Temp.:
- 25 °C
- Remarks on result:
- other: based on MCI
- Endpoint:
- adsorption / desorption, other
- Remarks:
- QSARs
- 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:
- the substance is outside the Kow range of the training set, so the results should be taken with caution. The definite values may not be fully reliable, but indicate a high adsorption potential, which can be taken into account for further assessments. Therefore, it can be assumed that the adsorption potential of the substance is high.
- Principles of method if other than guideline:
- Calculation based on KOCWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- Type of method:
- other: calculation
- Media:
- soil
- 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 - Key result
- Type:
- log Koc
- Value:
- 5.9
- Temp.:
- 25 °C
- Remarks on result:
- other: based on MCI
- Key result
- Type:
- Koc
- Value:
- 879 300 L/kg
- Temp.:
- 25 °C
- Remarks on result:
- other: based on MCI
Referenceopen allclose all
For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".
For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".
For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".
For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".
Description of key information
The log Koc of the isostearate 2 -ethylhexyl is between 5.42 and 6.5 (MCI method). The representative value is log Koc = 5.9 and Koc=879300 L/kg calculated for the Fatty acids C16, 2 -Ethyl-hexyl ester.
Key value for chemical safety assessment
- Koc at 20 °C:
- 879 300
Additional information
No studies investigating the adsorption/desorption behaviour of “Isostearate 2-ethylhexyl (=Fatty acids, C14-18 and C18 unsatd., branched and linear, 2-ethylhexyl esters (CAS 85186-76-1)) are available. Using KOCWIN Program (v2.00), log Koc values of 5.42, 6.5 and 6.5 were calculated based on molecular connectivity index (MCI) for the C14, C18 and C18 unsatd. constituents, respectively. The branched chains were not taken into account because no precise information on these structures are available and moreover they have a very little impact of the adsorption. So it can be considered that the log Koc of the isostearate 2 -ethylhexyl is between 5.42 and 6.5 The constituents C14 to C18 2-Ethylhexyl esters are outside the Kow range of the training set. So the results should be taken with caution. The definite values may not be fully reliable, but indicate a high adsorption potential, which is also to be expected based on the high log Kow (from 9.6 to 11.6 ) and low water solubility (< 1 mg/L).
Additionally, the C8 and C12 constituents of the category members, which have shorter fatty acid chains fit into the domain of the training set, and the resulting log Koc values 3.9 and 4.9 respectively are reliable and consistent with the log Koc of the “Isosearate 2-ethylhexyl” .
Based on this information, it can be assumed that the adsorption potential of the Isostearate 2-ethylhexyl is high and can be represented by the calculated value of the median chain (C16 fatty acids) which is reported as log Koc = 5.9 and Koc = 879300 L/Kg.
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