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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
Reference:
Composition 0
Composition 0
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 (+)-Neomenthol
GLP compliance:
not specified
Type of method:
other: estimated data
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of the test chemical : (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol- Common Name : (+)-Neomenthol- Molecular formula : C10H20O- Molecular weight : 156.267 g/mol- Smiles notation : C[C@@H]1CC[C@H]([C@H](C1)O)C(C)C- InChl : 1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1- Substance type : Organic- Physical state : Liquid
Key result
Water solubility:
434 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: Estimated data
Conclusions:
The estimated water solubility of (+)-Neomenthol at 25 deg C was 434 mg/l.
Executive summary:

WSKOW v1.42 was used to estimate the water solubility of (+)-Neomenthol.

The estimated water solubility of (+)-Neomenthol at 25 deg C was 434 mg/l.

Based on the estimated value, (+)-Neomenthol was moderately soluble in water.

Description of key information

The estimated water solubility of (+)-Neomenthol at 25 deg C was 434 mg/l.

Key value for chemical safety assessment

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

Additional information

WSKOW v1.42 was used to estimate the water solubility of (+)-Neomenthol.

The estimated water solubility of (+)-Neomenthol at 25 deg C was 434 mg/l.

Based on the estimated value, (+)-Neomenthol was moderately soluble in water.