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EC number: 210-762-8 | CAS number: 622-97-9
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Remarks:
- Read across study
- Justification for type of information:
- The study with the read across substance is considered sufficient to fulfil the information requirements.
- Reason / purpose for cross-reference:
- read-across source
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Handbook data
- GLP compliance:
- not specified
- Key result
- Water solubility:
- ca. 89 mg/L
- Temp.:
- 25 °C
- pH:
- ca. 8
- Conclusions:
- Based on the results of a study with the read across substance, vinyl toluene, the water solubility of the test substance is approximately 89 mg/L at 25°C.
- Executive summary:
A study was conducted to determine the water solubility of the read across substance, vinyl toluene. The measured value was obtained from a reliable literature source, the Encyclopedia of Chemical Technology. Based on the results of the study, the water solubility of the test substance is approximately 89 mg/L at 25°C (Kirk-Othmer, 1978).
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Remarks:
- EpiSuite
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- The substance falls within the applicability domain of the selected (Q)SAR method.
- Qualifier:
- according to guideline
- Guideline:
- other: EPI SUITE v 4.11
- GLP compliance:
- no
- Type of method:
- other: (Q)SAR modeling
- Key result
- Water solubility:
- 117.1 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: No information on concentration or pH
- Details on results:
- Water solubility estimate from log Kow (WSKOW v1.42).
- Conclusions:
- Under the study conditions, water solubility of the test substance was established at 117.1 mg/L at 25°C.
- Executive summary:
A study was conducted to determine the water solubility of the test substance by modelling using EPI SUITE v 4.11. The water solubility estimate was made based on log Kow (WSKOW v 1.42). Under the study conditions, the water solubility of the test substance was established at 117.1 mg/L at 25°C (US EPA, 2017).
Referenceopen allclose all
Description of key information
Determination of the water solubility based on the results for the read across substance, vinyl toluene (Kirk-Othmer, 1978) and by modelling (EPI SUITE v 4.11) (US EPA, 2017).
Key value for chemical safety assessment
- Water solubility:
- 89 mg/L
- at the temperature of:
- 25 °C
Additional information
Read across substance: 89 mg/L
EPI SUITE modelling: 177.1 mg/L
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