Registration Dossier
Registration Dossier
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EC number: 947-976-2 | CAS number: -
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2017 October 01
- 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:
- Estimated data are obtained from a reliable (Q)SAR program developed and validated by the United States Environmental Protection Agency (U.S. EPA). This program is included in the OECD (Q)SAR Toolbox for use in filling REACH data gaps.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: US EPA EPI-Suite WSKOW v1.42
- Principles of method if other than guideline:
- Estimated data are obtained from a reliable (Q)SAR program developed and validated by the United States Environmental Protection Agency (U.S. EPA). This program is included in the OECD (Q)SAR Toolbox for use in filling REACH data gaps.
- GLP compliance:
- no
- Type of method:
- other: Calculation
- Specific details on test material used for the study:
- SMILES : O=C(OCCO)CCCCCCCC=CCC(O)CCCCCC
CHEM : 9-Octadecenoic acid, 12-hydroxy-, 2-hydroxyethyl ester, R-(Z) -
MOL FOR: C20 H38 O4
MOL WT : 342.52 - Key result
- Water solubility:
- 0.062 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- pH:
- 7
- Conclusions:
- The water solubility of the test substance was calculated to be 0.06164 mg/L using EPI-Suite WSKOW v1.42.
Reference
Water Sol: 0.06164 mg/L
SMILES : O=C(OCCO)CCCCCCCC=CCC(O)CCCCCC
CHEM : 9-Octadecenoic acid, 12-hydroxy-, 2-hydroxyethyl ester, R-(Z) -
MOL FOR: C20 H38 O4
MOL WT : 342.52
Description of key information
0.06164 mg/L
Key value for chemical safety assessment
- Water solubility:
- 0.062 mg/L
- at the temperature of:
- 25 °C
Additional information
The water solubility of the test substance was estimated to be 0.06164 mg/L using EPI-Suite WSKOW v1.42.
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.
