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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:
other: estimated data
Principles of method if other than guideline:
WSKOW v1.42 was used to estimate the water solubility of substance 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one
GLP compliance:
not specified
Type of method:
other: estimated data
Specific details on test material used for the study:
- Name of test material: 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one
- IUPAC name: 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one
- Molecular formula: C11H12O2
- Molecular weight: 176.214 g/mole
- Smiles : c12c(CCC(C1)=O)ccc(c2)OC
- Inchl: 1S/C11H12O2/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7H,2,4,6H2,1H3
- Substance type: Organic
- Physical state: Liquid (Light yellow to yellow)
Key result
Water solubility:
1 151 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: estimated value
Conclusions:
The estimated water solubility of substance 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one at 25 deg C was 1151 mg/l.
Executive summary:

WSKOW v1.42 was used to estimate the water solubility of the substance 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one.

The estimated water solubility of the substance 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one at 25 deg C was 1151 mg/l.

Based on the estimated value, the substance 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one was considered to be soluble in water.

Description of key information

The estimated water solubility of substance 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one at 25 deg C was 1151 mg/l.

Key value for chemical safety assessment

Water solubility:
1 151 mg/L
at the temperature of:
25 °C

Additional information

WSKOW v1.42 was used to estimate the water solubility of the substance 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one.

The estimated water solubility of the substance 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one at 25 deg C was 1151 mg/l.

Based on the estimated value, the substance 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one was considered to be soluble in water.