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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:
Data is from experimental study performed using standard OECD test guidelines
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
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:
3.318
Temp.:
25 °C
pH:
5.9
Remarks on result:
other: Log Pow value reported as 3.318 ± 0.003
Details on results:
The Partition coefficient (Pow) of the test chemical was determined to be 3.318 ± 0.003 at 25°C

Table 1: Results of test substance

Test substance

K

Log k

Log Pow

by Generalized Calibration Graph

Mean of Log Pow± S.D.

tR1

2.263

1.407

0.148

3.316

3.318 ± 0.003

 

tR2

2.268

1.412

0.150

3.320

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 3.318 ± 0.003 at 25°C.
Executive summary:

The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals. A test chemical solution was prepared by accurately weighing 4 mg of test chemical and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test chemical was 5.9. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared . The reference substances were 4-Methoxyphenol, Phenol, Benzene, 2-Nitrophenol, Nitrobenzene, Naphthalene, Diphenyl ether, having Pow value ranging from 1.3 to 4.2 The Log Pow value was determined to be 3.318 ± 0.003 at 25°C indicating that the test chemical is hydrophilic in nature.

Description of key information

On the basis of the available data from study report, the partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals. A test chemical solution was prepared by accurately weighing 4 mg of test chemical and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test chemical was 5.9. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared . The reference substances were 4-Methoxyphenol, Phenol, Benzene, 2-Nitrophenol, Nitrobenzene, Naphthalene, Diphenyl ether, having Pow value ranging from 1.3 to 4.2 The Log Pow value was determined to be 3.318 ± 0.003 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.318
at the temperature of:
25 °C

Additional information

On the basis of the available data from study report,the partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals. A test chemical solution was prepared by accurately weighing 4 mg of test chemical and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test chemical was 5.9. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared . The reference substances were 4-Methoxyphenol, Phenol, Benzene, 2-Nitrophenol, Nitrobenzene, Naphthalene, Diphenyl ether, having Pow value ranging from 1.3 to 4.2 The Log Pow value was determined to be 3.318 ± 0.003 at 25°C.

In a supporting study from handbook, authoritative database and secondary sources,the octanol water partition coefficient (log Pow) value of the test chemical was determined to be 3.47.

Thus, on the basis of available information, the partition coefficient value of test chemical was determined to be ranges from 3.3 to 3.47, respectively, indicating that the test chemical is hydrophilic in nature.