Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

Physical & Chemical properties

Water solubility

Currently viewing:

Administrative data

Link to relevant study record(s)

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.