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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 Guideline.
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 chemical test was determined by the Reverse Phase High Performance Liquid Chromatography 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:
2.678
Temp.:
25 °C
Remarks on result:
other: Log Pow value reported as 2.6776 ± 0.001
Details on results:
The Partition coefficient (Pow) of the test chemical was determined to be 2.6776 at 25°C

Table 1

Test substance

K

Log k

Log Pow

by Generalized Calibration Graph

 

Mean of Log Pow ± S.D.

 

Rt1

1.793

0.9067

-0.0425

2.6783

 

2.6776±0.001

 

Rt2

1.792

0.9057

-0.0430

2.6769

 

Table 2

Reference substance

Log Pow

Rt1

 

Rt2

Rt3

Mean Rt ± S.D.

k

Log k

Formamide

NA

0.977

0.922

0.922

0.94033±0.032

0

0

Acetophenone

1.7

1.354

1.353

NA

1.3535±0.001

0.4394

-0.3571

Benzophenone

3.2

1.974

1.979

NA

1.9765±0.004

1.1019

0.0421

Phenol

1.5

1.15

1.149

NA

1.1495±0.001

0.2224

-0.6529

Benzene

2.1

1.771

1.775

NA

1.773±0.003

0.886

-0.0526

4-Acetylpyridine

0.5

1.076

1.077

NA

1.0765±0.001

0.1448

-0.8391

2-Nitrophenol

1.8

1.366

1.369

NA

1.3675±0.002

0.4543

-0.3427

Nitrobenzene

1.9

1.454

1.458

NA

1.456±0.003

0.5484

-0.2609

Naphthalene

3.6

2.388

2.393

NA

2.3905±0.004

1.5422

0.1881

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 2.6776 ± 0.001 at 25°C.
Executive summary:

The partition Coefficient n-octanol/water of chemical was determined by the Reverse Phase High Performance Liquid Chromatography 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 mobile phase up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.44. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Acetophenone, Benzophenone, Phenol, Benzene, 4-Acetylpyridine, 2-Nitrophenol, Nitrobenzene, Naphthalene having Pow value ranging from 0.5 to 3.6. The Log Pow value was determined to be 2.6776 ± 0.001 at 25°C.

Bu considering this log Kow value test chemical is considered to be hydrophilic in nature.

Description of key information

The partition Coefficient n-octanol/water of chemical was determined by the Reverse Phase High Performance Liquid Chromatography 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 mobile phase up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.44. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Acetophenone, Benzophenone, Phenol, Benzene, 4-Acetylpyridine, 2-Nitrophenol, Nitrobenzene, Naphthalene having Pow value ranging from 0.5 to 3.6. The Log Pow value was determined to be 2.6776 ± 0.001 at 25°C.

Bu considering this log Kow value test chemical is considered to be hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.678
at the temperature of:
25 °C

Additional information

The partition Coefficient n-octanol/water of chemical was determined by the Reverse Phase High Performance Liquid Chromatography 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 mobile phase up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.44. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Acetophenone, Benzophenone, Phenol, Benzene, 4-Acetylpyridine, 2-Nitrophenol, Nitrobenzene, Naphthalene having Pow value ranging from 0.5 to 3.6. The Log Pow value was determined to be 2.6776 ± 0.001 at 25°C.

Bu considering this log Kow value test chemical is considered to be hydrophilic in nature.