Registration Dossier
Registration Dossier
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EC number: 255-627-4 | CAS number: 42019-78-3
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting 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:
- 1. SOFTWARE: EPI-Suite, EPA (USA) v 4.11
2. MODEL (incl. version number): WSKOW v1.42
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2
Data source
Reference
- Reference Type:
- other: estimated by calculation
- Title:
- Unnamed
- Year:
- 2 013
Materials and methods
- Principles of method if other than guideline:
- EPI-Suite WSKOW v1.42
- GLP compliance:
- no
- Type of method:
- other: estimated by calculation
Test material
- Reference substance name:
- 4-chloro-4'-hydroxybenzophenone
- EC Number:
- 255-627-4
- EC Name:
- 4-chloro-4'-hydroxybenzophenone
- Cas Number:
- 42019-78-3
- Molecular formula:
- C13H9ClO2
- IUPAC Name:
- 4-(4-chlorobenzoyl)phenol
- Details on test material:
- - Name of test material (as cited in study report): METHANONE, (4-CHLOROPHENYL)(4-HYDROXYPHENYL)-
Constituent 1
Results and discussion
Water solubility
- Key result
- Water solubility:
- 166.3 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: log Kow used: 3.31 (estimated) (WSKOW v1.42)
Applicant's summary and conclusion
- Conclusions:
- Water solubility EPISUITE = 166.3 mg/L at 25 ºC (WSKOW v1.42).
log Kow used: 3.31 (estimated) - Executive summary:
Water solubility EPISUITE = 166.3 mg/L at 25 ºC (WSKOW v1.42).
log Kow used: 3.31 (estimated)
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