Registration Dossier
Registration Dossier
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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
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.
