(+)-neomenthol

Water solubility

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 (+)-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.

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.