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EC number: 204-578-7 | CAS number: 122-84-9
Water solubility
Administrative data
Link to relevant study record(s)
- 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:
- accepted calculation method
- Justification for type of information:
- data is from modelling database
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- WSKOW v1.42 was used to estimate the water solubility of test substance 4-methoxyphenylacetone
- GLP compliance:
- not specified
- Type of method:
- other: estimated data
- Specific details on test material used for the study:
- - Name of test material: 4-methoxyphenylacetone
- IUPAC name: 1-(4-methoxyphenyl)acetone
- Molecular formula: C10H12O2
- Molecular weight: 164.203 g/mole
- Smiles : c1(ccc(OC)cc1)CC(C)=O
- Inchl: 1S/C10H12O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
- Substance type: Organic
- Physical state: Colorless, oily liquid - Key result
- Water solubility:
- 3 084 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Remarks on result:
- other: estimated value
- Conclusions:
- The estimated water solubility of test substance 4-methoxyphenylacetone at 25 deg C was 3084 mg/l.
- Executive summary:
WSKOW v1.42 was used to estimate the water solubility of the test substance 4-methoxyphenylacetone.
The estimated water solubility of the test substance 4-methoxyphenylacetone at 25 deg C was 3084 mg/l.
Based on the estimated value, the test substance 4-methoxyphenylacetone was considered to be soluble in water.
Reference
Description of key information
The estimated water solubility of test substance 4-methoxyphenylacetone at 25 deg C was 3084 mg/l.
Key value for chemical safety assessment
- Water solubility:
- 3 084 mg/L
- at the temperature of:
- 25 °C
Additional information
WSKOW v1.42 was used to estimate the water solubility of the test substance 4-methoxyphenylacetone.
The estimated water solubility of the test substance 4-methoxyphenylacetone at 25 deg C was 3084 mg/l.
Other supporting data from authoritative database, also estimated the water solubility of 4-methoxyphenylacetone as 7966 mg/L at 25 °C.
Based on the estimated values, the test substance 4-methoxyphenylacetone was considered to be soluble in water.
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