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EC number: 500-017-8 | CAS number: 9005-00-9 1 - 2.5 moles ethoxylated
- 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:
- adsorption
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- Calculation based on equations developed by van Compernolle et al. (2006).
- GLP compliance:
- no
- Type of method:
- other: calculation
- Media:
- other: e.g. activated sludge, river water solids
- Type:
- log Koc
- Value:
- 5.6 - 5.7 dimensionless
- Temp.:
- 25 °C
- Remarks on result:
- other: The range of the calculated values represents the variation of carbon chain length and the degree of ethoxylation according to substance specifications.
- Type:
- Koc
- Value:
- 398 107 - 550 808 L/kg
- Temp.:
- 25 °C
- Remarks on result:
- other: The range of the calculated values represents the variation of carbon chain length and the degree of ethoxylation according to substance specifications.
- Endpoint:
- adsorption / desorption, other
- Remarks:
- adsorption
- 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
- Justification for type of information:
- 1. SOFTWARE
EPI Suite v4.11 Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
2. MODEL (incl. version number)
KOCWIN v2.00, Log Kow based model
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See “Test material information”
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached information on the model provided by the developer. Further information on the OECD criteria as outlined by the applicant is provided below under "Any other information of materials and methods incl. tables"
5. APPLICABILITY DOMAIN
See attached information and information as provided in "Any other information on results incl. tables".
6. ADEQUACY OF THE RESULT
See assessment of adequacy as outlined in the "Overall remarks, attachments" section. - Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: EPI Suite v4.11
- Model(s) used: KOCWIN v2.00
Full reference and details of the used formulas can be found in:
1. Doucette, W.J. 2000. Soil and sediment sorption coefficients. In: Handbook of Property Estimation Methods, Environmental and Health Sciences. R.S. Boethling & D. Mackay (Eds.): Lewis Publishers (ISBN 1-56670-456-1).
2. US EPA. [2012]. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11 or insert version used]. United States Environmental Protection Agency, Washington, DC, USA.
- Model description: see field 'Justification for non-standard information', 'Attached justification' and 'any other information on Material and methods'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification' and/or 'overall remarks' - GLP compliance:
- no
- Type of method:
- other: calculation
- Media:
- soil
- Details on test conditions:
- BASIS FOR CALCULATION OF Koc:
- Estimation software: EPI Suite™ v4.11, KOCWIN v2.00, Log Kow based method - Type:
- Koc
- Value:
- >= 11 300 - <= 60 790 L/kg
- Temp.:
- 25 °C
- Remarks on result:
- other: The range of the calculated values represents the variation of carbon chain length and the degree of ethoxylation according to substance specifications.
- Type:
- log Koc
- Value:
- >= 4.053 - <= 4.784 dimensionless
- Temp.:
- 25 °C
- Endpoint:
- adsorption / desorption, other
- Remarks:
- adsorption
- 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
- Justification for type of information:
- 1. SOFTWARE
EPI Suite v4.11 Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
2. MODEL (incl. version number)
KOCWIN v2.00
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See “Test material information”
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached information on the model provided by the developer. Further information on the OECD criteria as outlined by the applicant is provided below under "Any other information of materials and methods incl. tables"
5. APPLICABILITY DOMAIN
See attached information and information as provided in "Any other information on results incl. tables".
6. ADEQUACY OF THE RESULT
See assessment of adequacy as outlined in the "Overall remarks, attachments" section. - Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: EPI Suite v4.11
- Model(s) used: KOCWIN v2.00, MCI based method
Full reference and details of the used formulas can be found in:
Meylan, W., P.H. Howard and R.S. Boethling, "Molecular Topology/Fragment Contribution Method for Predicting Soil Sorption Coefficients", Environ. Sci. Technol. 26: 1560-7 (1992)
- Model description: see field 'Justification for non-standard information', 'Attached justification' and 'any other information on Material and methods'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification' and/or 'overall remarks' - GLP compliance:
- no
- Type of method:
- other: calculation
- Media:
- soil
- Details on test conditions:
- BASIS FOR CALCULATION OF Koc:
- Estimation software: EPI Suite™ v 4.11, KOCWIN v2.00, MCI based method - Type:
- Koc
- Value:
- >= 8 329 - <= 15 470 L/kg
- Temp.:
- 25 °C
- Remarks on result:
- other: The range of the calculated values represents the variation of carbon chain length and the degree of ethoxylation according to substance specifications.
- Type:
- log Koc
- Value:
- >= 3.921 - <= 4.19 dimensionless
- Temp.:
- 25 °C
- Remarks on result:
- other: The range of the calculated values represents the variation of carbon chain length and the degree of ethoxylation according to substance specifications.
Referenceopen allclose all
Table 1: Range of calculated Koc and log Koc values according to substance specifications (carbon chain length, degree of ethoxylation)
Structure |
Log Koc |
Koc |
Alcohol, C18 |
5.6 |
398107 |
Alcohol ethoxylate, C18, 1 EO |
5.6 |
443609 |
Alcohol ethoxylate, C18, 2 EO |
5.7 |
494311 |
Alcohol ethoxylate, C18, 3 EO |
5.7 |
550808 |
For detailed information on the results please refer to the attached report.
For detailed information on the results please refer to the attached report.
Description of key information
Koc = 8329 - 15470 L/kg (EPI Suite v4.11, KOCWIN v2.00, MCI based method)
Koc = 11300 - 60790 L/kg (EPI Suite v4.11, KOCWIN v2.00, Log Kow based method)
Koc = 398107 - 550808 L/kg (Calculation based on equations developed by van Compernolle et al. (2006))
Key value for chemical safety assessment
- Koc at 20 °C:
- 8 329
Additional information
Experimental studies on adsorption/desorption of Octadecan-1-ol, ethoxylated are not available. The adsorption potential of the substance was therefore determined by QSAR-calculations (EPI Suite v4.11) using the KOCWIN v2.00 model based on the Molecular Connectivity Index (MCI) and the log Kow method. Smiles-codes of the unethoxylated alcohols as well as smiles-codes of the alcohol ethoxylates with an ethoxylation of 1 EO, 2 EO and 3 EO of the homologues with chain lengths of C18 were chosen as representatives of the mixture. The representative structures fall within the applicability domain of both models and thus the calculations are considered valid. The results are given as a range which represents the variation of carbon chain length and the degree of ethoxylation according to substance specifications. The calculated log Koc values range from 3.921 to 4.190 (MCI method) and 4.053 to 4.784 (log Kow method).
In addition, the Koc was determined according to a specific QSAR method, developed for alcohol ethoxylates from measured sorption data by van Compernolle et al. (2006). The work by these authors investigated the adsorption of several radio-labelled specific alcohol ethoxylate homologues onto activated sludge and river water solids. These results, together with results from validated published and unpublished work, were used to derive a Koc based sorption QSAR. The log Koc values estimated according to the method of van Compernolle et al. (2006) ranged from 5.6 to 5.7.
The available results indicate that Octadecan-1-ol, ethoxylated has the potential to adsorb onto sediment and suspended solids.
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