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EC number: 218-691-4 | CAS number: 2216-52-6
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 (+)-Neomenthol
- GLP compliance:
- not specified
- Type of method:
- other: estimated data
- 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.
Reference
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.
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