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Diss Factsheets
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EC number: 947-718-9 | CAS number: -
- 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
![](https://chesar.echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_environmental-fate-and-pathways.png)
Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- 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)
HYDROWIN 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.
5. APPLICABILITY DOMAIN
See attached information and information as provided in "Any other information on material and methods 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:
- Version / remarks:
- 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: HYDROWIN v2:00
Full reference and details of the used formulas can be found in:
Mill, T., Haag, W., Penwell, P., Pettit, T. and Johnson, H. "Environmental Fate and Exposure Studies Development of a PC-SAR for Hydrolysis: Esters, Alkyl Halides and Epoxides". EPA Contract No. 68-02-4254: SRI International (1987).
- 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
- Estimation method (if used):
- - Total Kb for pH > 8: 1.279E-001 L/mol sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: HYDROWIN v2.00 - Transformation products:
- not specified
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- 7.711 yr
- pH:
- 8
- Temp.:
- 25 °C
- DT50:
- 281.632 d
- Endpoint:
- hydrolysis
- 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)
HYDROWIN 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.
5. APPLICABILITY DOMAIN
See attached information and information as provided in "Any other information on material and methods 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:
- Version / remarks:
- 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: HYDROWIN v2:00
Full reference and details of the used formulas can be found in:
Mill, T., Haag, W., Penwell, P., Pettit, T. and Johnson, H. "Environmental Fate and Exposure Studies Development of a PC-SAR for Hydrolysis: Esters, Alkyl Halides and Epoxides". EPA Contract No. 68-02-4254: SRI International (1987).
- 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
- Estimation method (if used):
- - Total Kb for pH > 8: 1.279E-001 L/mol sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: HYDROWIN v2.00 - Transformation products:
- not specified
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- 2.632 yr
- pH:
- 8
- Temp.:
- 25 °C
- DT50:
- 96.126 d
- Endpoint:
- hydrolysis
- 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)
HYDROWIN 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.
5. APPLICABILITY DOMAIN
See attached information and information as provided in "Any other information on material and methods 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:
- Version / remarks:
- 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: HYDROWIN v2:00
Full reference and details of the used formulas can be found in:
Mill, T., Haag, W., Penwell, P., Pettit, T. and Johnson, H. "Environmental Fate and Exposure Studies Development of a PC-SAR for Hydrolysis: Esters, Alkyl Halides and Epoxides". EPA Contract No. 68-02-4254: SRI International (1987).
- 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
- Estimation method (if used):
- - Total Kb for pH > 8: 1.279E-001 L/mol sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: HYDROWIN v2.00 - Transformation products:
- not specified
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- 2.094 yr
- pH:
- 8
- Temp.:
- 25 °C
- DT50:
- 76.5 d
- Endpoint:
- hydrolysis
- 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)
HYDROWIN 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.
5. APPLICABILITY DOMAIN
See attached information and information as provided in "Any other information on material and methods 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:
- Version / remarks:
- 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: HYDROWIN v2:00
Full reference and details of the used formulas can be found in:
Mill, T., Haag, W., Penwell, P., Pettit, T. and Johnson, H. "Environmental Fate and Exposure Studies Development of a PC-SAR for Hydrolysis: Esters, Alkyl Halides and Epoxides". EPA Contract No. 68-02-4254: SRI International (1987).
- 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
- Estimation method (if used):
- - Total Kb for pH > 8: 1.279E-001 L/mol sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: HYDROWIN v2.00 - Transformation products:
- not specified
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- 1.316 yr
- pH:
- 8
- Temp.:
- 25 °C
- DT50:
- 48.063 d
Referenceopen allclose all
For detailed information on the results please refer to the attached report. The results refer to the uncharged molecule.
For detailed information on the results please refer to the attached report. The results refer to the uncharged molecule.
For detailed information on the results please refer to the attached report. The results refer to the uncharged molecule.
For detailed information on the results please refer to the attached report. The results refer to the uncharged molecule.
Description of key information
Hydrolysis is not a relevant degradation pathway in the environment.
Key value for chemical safety assessment
Additional information
No experimental data are available for hydrolysis of the target substance Isooctadecanoic acid, mixed esters with oxybis[propanediol]. Therefore, QSAR calculations (HYDROWIN v2.00) were performed with the individual mono-, di-, tri- and tetraester components of the substance. Calculations indicate that hydrolysis is a negligible pathway for the fate of the test substance in the environment. Estimated half-lives of > 1 year at pH 7 and > 48 d at pH 8 were calculated.
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.
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