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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Reference
Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
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 limited documentation / justification
Justification for type of information:
Estimation of the water solubility using WSKOW v1.41.
Qualifier:
no guideline followed
Principles of method if other than guideline:
WSKOW v1.41 prediction for the water solubility. The estimated log Kow used was 2.75. No melting point was used.
GLP compliance:
no
Type of method:
other: Water solubility estimate from Log Kow (WSKOW v1.41)
Specific details on test material used for the study:
- SMILES: O=Cc(ccc(c1)CC)c1
- Molecular Formula: C9H10O1
- Molecular Weight: 134.18
Key result
Water solubility:
397.7 mg/L
Temp.:
25 °C
Remarks on result:
other: results was estimated by QSAR prediction (WSKOW v.1.41))

Description of key information

The water solubility of the test substance was calculated to be 397.7 mg/L at 25 °C (WSKOW v1.41 estimate).

Key value for chemical safety assessment

Water solubility:
397.7 mg/L
at the temperature of:
25 °C

Additional information