Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
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EC number: 248-479-7 | CAS number: 27472-21-5
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- other information
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: Estimated value
Data source
Reference
- Reference Type:
- secondary source
- Title:
- Water solubility
- Author:
- WSKOW v1.42
- Bibliographic source:
- EPISuite v4.11
Materials and methods
Test guideline
- Qualifier:
- no guideline available
- GLP compliance:
- no
Test material
- Reference substance name:
- (3,4-diethoxyphenyl)acetonitrile
- EC Number:
- 248-479-7
- EC Name:
- (3,4-diethoxyphenyl)acetonitrile
- Cas Number:
- 27472-21-5
- Molecular formula:
- C12H15NO2
- IUPAC Name:
- 2-(3,4-diethoxyphenyl)acetonitrile
Constituent 1
Results and discussion
Water solubility
- Water solubility:
- 301.4 mg/L
- Temp.:
- 25 °C
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): moderately soluble (100-1000 mg/L)
The estimated water solubility is 301.4 mg/L.
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