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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 for testing of Chemicals.
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:
0.119
Temp.:
25 °C
pH:
6.08
Remarks on result:
other: logKow value was reported to be 0.119 ± 0.008
Details on results:
The Partition coefficient (Pow) of the test chemical was determined to be 0.119 ± 0.008 at 25°C

Table 1:

Reference substance

Log Pow

Rt1

Rt2

Rt3

Mean Rt ± S.D.

k

Log k

Formamide

NA

0.977

0.922

0.922

0.940±0.032

0

0

Biphenyl

4

2.822

2.841

NA

2.8315±0.013

2.011

0.3034

Toluene

2.7

2.103

2.104

NA

2.1035±0.001

1.237

0.0924

n-Butylbenzene

4.6

4.454

4.463

NA

4.4585±0.006

3.741

0.573

Naphthalene

3.6

2.388

2.393

NA

2.3905±0.004

1.5422

0.1881

4-Acetylpyridine

0.5

1.076

1.077

NA

1.0765±0.001

0.1448

-0.8391

Table 2:

Test substance

 

K

Log k

Log Pow by Generalized Calibration

Graph

Mean of Log Pow ± S.D.

tR1

1.048

0.114

-0.941

0.125

0.119 ± 0.010

tR2

1.047

0.113

-0.945

0.113

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 0.119 ± 0.008 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 5 mg of test item and diluted with ACN up to 10 ml. Thus, the test solution concentration was 500 mg/l. The pH of test substance was 6.08. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared .The reference substances were Biphenyl,Toluene, n-Butylbenzene, Naphthalene, 4 -Acetylpyridine having Pow value ranging from 0.5 to 4.6. The Log Pow value was found to be 0.119 ± 0.008 at 25°C. The partition Coefficient n-octanol/water of test chmeical 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 were having Pow value ranging from 0.5 to 4.6 .The Log Pow value was determined to be 0.119 ± 0.008 dimensionless at 25°C. On the basis of this value, test chemical can be considered to be hydrophobic in nature.

Description of key information

Based on the available data from experimental 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 5 mg of test item and diluted with ACN up to 10 ml. Thus, the test solution concentration was 500 mg/l. The pH of test substance was 6.08. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared .The reference substances were Biphenyl,Toluene, n-Butylbenzene, Naphthalene, 4 -Acetylpyridine having Pow value ranging from 0.5 to 4.6. The Log Pow value was found to be 0.119 ± 0.008 at 25°C. The partition Coefficient n-octanol/water of test chmeical 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 were having Pow value ranging from 0.5 to 4.6 .The Log Pow value was determined to be 0.119 ± 0.008 dimensionless at 25°C. On the basis of this value, test chemical can be considered to be hydrophobic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
0.119
at the temperature of:
25 °C

Additional information

Based on the available data in a key study from experimental 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 5 mg of test item and diluted with ACN up to 10 ml. Thus, the test solution concentration was 500 mg/l. The pH of test substance was 6.08. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared .The reference substances were Biphenyl,Toluene, n-Butylbenzene, Naphthalene, 4 -Acetylpyridine having Pow value ranging from 0.5 to 4.6. The Log Pow value was found to be 0.119 ± 0.008 at 25°C. The partition Coefficient n-octanol/water of test chmeical 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 were having Pow value ranging from 0.5 to 4.6 .The Log Pow value was determined to be 0.119 ± 0.008 dimensionless at 25°C.

Additional studyfromhandbook, secondary source, authoritative and modelling databases indicates that the octanol water partition coefficient (log Pow) value of the test chemical was determined to be 0.89.

Thus, based on the available information, the logPow valueof the test chemical ranges from 0.119 to 0.89, respectively. On the basis of this value, test chemical can be considered to behydrophilic in nature.