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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

Physical & Chemical properties

Water solubility

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Administrative data

Link to relevant study record(s)

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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).

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.