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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
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
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 test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117.
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
3.406
Temp.:
25 °C
pH:
6.2
Remarks on result:
other: logKow was reported to be 3.406 ± 0.000
Details on results:
The Partition coefficient (Pow) of the test chemical was determined to be 3.406 ± 0.000 at 25°C

Test substance

K

Log k

Log Pow

by Generalized Calibration

Graph

Mean of Log Pow ± S.D.

tR1

2.742

1.916

0.282

3.406

3.406± 0.000

tR2

2.743

1.917

0.283

3.406

Conclusions:
The partition coefficient(n-octanol/water) of test chemical was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 3.406 ± 0.000 at 25°C.
Executive summary:

The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with ACN up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.2. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Phenol, Benzene, 2-Nitrophenol, Nitrobenzene, Toluene, Ethylbenzene, n-Butylbenzene having Pow value ranging from 1.5 to 4.6.The Log Pow value was determined to be 3.406 ± 0.000 at 25°C.

Description of key information

Based on the available data from study report, the partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with ACN up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.2. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Phenol, Benzene, 2-Nitrophenol, Nitrobenzene, Toluene, Ethylbenzene, n-Butylbenzene having Pow value ranging from 1.5 to 4.6.The Log Pow value was determined to be 3.406 ± 0.000 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.4
at the temperature of:
25 °C

Additional information

Based on the available data from study report, the partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with ACN up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.2. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Phenol, Benzene, 2-Nitrophenol, Nitrobenzene, Toluene, Ethylbenzene, n-Butylbenzene having Pow value ranging from 1.5 to 4.6.The Log Pow value was determined to be 3.406 ± 0.000 at 25°C.

Additional study from authoritative and modelling databases indicates that the octanol water partition coefficient (log Pow) value of the test chemical was estimated to be 3.89 at 25°C.

Thus, based on the available information, the logPow valueof the test chemical ranges from 3.4 to 3.89, respectively.