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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2017-01-23 - 2017-01-23
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Experimental test result performed using standard test guidelines
Reference:
Composition 0
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Principles of method if other than guideline:
The partition Coefficient n-octanol/water of (±)-menthone(CAS No.1074-95-9) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.
GLP compliance:
not specified
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Specific details on test material used for the study:
Name of test material: (±)-menthone
- Molecular formula: C10H18O
- Molecular weight: 154.2512 g/mol
- Substance type: Organic
- Physical state: Liquid
Analytical purity: 95% (determined by GC)
Standard compounds and terpenoids were purchased from Aldrich (Castle Hill, Australia) and Fluka (Castle Hill, Australia).
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
1.951
Temp.:
25 °C
pH:
6.27
Remarks on result:
other: no other details mentioned

Test Substance

 

 

 

K

Logk

Log Pow by Generalized Calibration Graph

Mean of Log Pow ± S.D

Tr1

1.475

0.64132

-0.19292

1.94929

1.9511 ± 0.0026

Tr2

1.477

0.64354

-0.19142

1.95298

Conclusions:
The partition coefficient(n-octanol/water) of test substance (±)-menthone (CAS No. 1074-95-9)was determined as per the HPLC method (OECD Guideline- 117). The Log Pow value was determined to be 1.9511± 0.0026 at 25°C.
Executive summary:

The partition Coefficient n-octanol/water of (±)-menthone(CAS No.1074-95-9) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances had Pow value ranging from 1.3 to 4.2. The Log Pow value was determined to be 1.9511± 0.0026 at 25°C.

Description of key information

The partition Coefficient n-octanol/water of (±)-menthone(CAS No.1074-95-9) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances had Pow value ranging from 1.3 to 4.2. The Log Pow value was determined to be 1.9511± 0.0026 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.95
at the temperature of:
25 °C

Additional information

The partition Coefficient n-octanol/water of (±)-menthone(CAS No.1074-95-9) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances had Pow value ranging from 1.3 to 4.2. The Log Pow value was determined to be 1.9511± 0.0026 at 25°C.

Other supporting data from Journal (experimental) and modelling database (predicted) indicates the octanol- water partition coefficient for (±)-menthone as 3.05 with a standard error of 0.07 and 2.87 respectively.

The experimental and estimated values suggests that (±)-menthone is hydrophilic in nature, which also supported by its solubility in water.