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EC number: 284-965-5 | CAS number: 85005-32-9
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- 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
- Remarks:
- Internationally accepted method, EPI-Suite, EPA (USA).
- Justification for type of information:
- See attached justifications.
- Principles of method if other than guideline:
- Calculation by EPI-Suite, EPA (USA) / WATERN V1.01
- GLP compliance:
- no
- Type of method:
- other: Estimated by calculation.
- Specific details on test material used for the study:
- [Na]OS(=O)(=O)C(CCCCCCCCC)CCCCCCCC(=O)OCCOC(=O)CCCCCCCC(CCCCCCCCC)S(=O)(=O)O([Na])
- Key result
- Water solubility:
- 0 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Remarks on result:
- other: EPI-Suite calculation: no data provided on the pH to be included under "Results and discussions".
- Conclusions:
- The estimated water solubility is 7.9909E-7 mg/L at 25 ºC (EPI-Suite, WATERNT v1.01).
- Executive summary:
The estimated water solubility is 7.9909E-7 mg/L at 25 ºC (EPI-Suite, WATERNT v1.01).
- Endpoint:
- water solubility
- 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
- Remarks:
- Internationally accepted method, EPI-Suite, EPA (USA).
- Justification for type of information:
- See attached justifications.
- Principles of method if other than guideline:
- Calculation by EPI-Suite, EPA (USA) / WATERN V1.01
- GLP compliance:
- no
- Type of method:
- other: Estimated by calculation.
- Specific details on test material used for the study:
- SMILES: O=S(=O)(O([Na]))C(CCCCCCCCC)CCCCCCCC(=O)OCCO
- Key result
- Water solubility:
- 0.012 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Remarks on result:
- other: EPI-Suite calculation: no data provided on the pH to be included under "Results and discussions".
- Conclusions:
- The estimated water solubility is 0.012054 mg/L at 25 ºC (EPI-Suite, WATERNT v1.01).
- Executive summary:
The estimated water solubility is 0.012054 mg/L at 25 ºC (EPI-Suite, WATERNT v1.01).
- Endpoint:
- water solubility
- 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
- Remarks:
- Internationally accepted method, EPI-Suite, EPA (USA).
- Justification for type of information:
- See attached justifications.
- Principles of method if other than guideline:
- Calculation by EPI-Suite, EPA (USA) / WSKOWWIN v1.42
- GLP compliance:
- no
- Type of method:
- other: Estimated by calculation.
- Specific details on test material used for the study:
- [Na]OS(=O)(=O)C(CCCCCCCCC)CCCCCCCC(=O)OCCOC(=O)CCCCCCCC(CCCCCCCCC)S(=O)(=O)O([Na])
- Key result
- Water solubility:
- 0 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Remarks on result:
- other: EPI-Suite calculation: no data provided on the pH to be included under "Results and discussions".
- Conclusions:
- The estimated water solubility is 4.563E-7 mg/l at 25 ºC (EPI-Suite, WSKOWWIN v1.42).
- Executive summary:
The estimated water solubility is 4.563E-7 mg/l at 25 ºC (EPI-Suite, WSKOWWIN v1.42).
Referenceopen allclose all
Description of key information
Weight of evidence:
Representative components are:
Bisulfited sodium salt of ethylene ester of oleic acid:
The estimated water solubility is 0.012054 mg/L at 25 ºC (EPI-Suite, WATERNT v1.01).
Bisulfited sodium salt of ethylene diester of oleic acid:
The estimated water solubility is 4.563E-7 mg/l at 25 ºC (EPI-Suite, WSKOWWIN v1.42).
The estimated water solubility is 7.9909E-7 mg/L at 25 ºC (EPI-Suite, WATERNT v1.01).
Key value for chemical safety assessment
- Water solubility:
- 0 mg/L
- at the temperature of:
- 25 °C
Additional information
The water solubility of representative components range from 4.563 E-7 to 0.012054 mg/L.
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