Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 952-655-5 | CAS number: -
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2020
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Justification for type of information:
- 1. SOFTWARE
EPISUITE (integrated in QSAR Toolbox v 4.4)
2. MODEL (incl. version number)
Calculation with use of QSAR Toolbox v. 4.4
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Main constituent of substance:
- Dodecyl oleate, CAS No. 36078-10-1: CCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
For details please refer to Section "Any other information on material and methods incl. tables"
5. APPLICABILITY DOMAIN
For details please refer to Section "Any other information on material and methods incl. tables"
6. ADEQUACY OF THE RESULT
For details please refer to Section "Any other information on material and methods incl. tables" - Principles of method if other than guideline:
- Calculation with use of EPISUITE intgrated tool of QSAR Toolbox v. 4.4
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Key result
- Water solubility:
- 0 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- > 5 - < 8
- Remarks on result:
- other: QSAR result, pH not reported
- Conclusions:
- QSAR prediction (EPISUITE integrated tool of QSAR toolbox v. 4.4) for Dodecyl oleate (CAS No. 36078-10-1), a main constituent of the registration substance, resulted in a negligible water solubility.
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2020
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Justification for type of information:
- 1. SOFTWARE
EPISUITE (integrated in QSAR Toolbox v 4.4)
2. MODEL (incl. version number)
Calculation with use of QSAR Toolbox v. 4.4
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Main constituent of substance:
- Dodecyl oleate, CAS No. 22393-85-7 CCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
For details please refer to Section "Any other information on material and methods incl. tables"
5. APPLICABILITY DOMAIN
For details please refer to Section "Any other information on material and methods incl. tables"
6. ADEQUACY OF THE RESULT
For details please refer to Section "Any other information on material and methods incl. tables" - Principles of method if other than guideline:
- Calculation with use of EPISUITE intgrated tool of QSAR Toolbox v. 4.4
- GLP compliance:
- no
- Key result
- Water solubility:
- 0 mg/L
- Temp.:
- 20 °C
- pH:
- > 5 - < 8
- Remarks on result:
- other: QSAR result, pH not reported
- Conclusions:
- QSAR prediction (EPISUITE integrated tool of QSAR toolbox v. 4.4) for Tetradecyl oleate (CAS No. 22393-85-7), a main constituent of the registration substance, resulted in a negligible water solubility.
Referenceopen allclose all
Description of key information
Main Constituents of Cocoyl olivate, C18 unsaturated, C12 -14 (even numbered) alkyl esters are:
- Dodecyl oleate; CAS No. 36078-10-1, water solubility: 5E-9 mg/L
- and Tetradecyl oleate; CAS No. 22393-85-7, water solubility: 5E-10 mg/L
Based on the available experimental data derived from the main constituents the water solubility is considered to be << 0.1 mg/L.
This is supported by the experimental data derived with Tetradecyl myristate (CAS No. 3234-85-3).
Key value for chemical safety assessment
- Water solubility:
- 0 mg/L
- at the temperature of:
- 20 °C
Additional information
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.
