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Physical & Chemical properties

Water solubility

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Reference
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.

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.