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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:
To determine octanol water partition coefficient of test chemical 1H-benzimidazole by HPLC method
GLP compliance:
not specified
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Name of test material (as cited in study report):Benzimidazole
- Molecular formula : C7H6N2
- Molecular weight: 118.1384 g/mol
-Smilies notation: c12c(nc[nH]1)cccc2
- Inchi: 1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
- Substance type: Organic
- Physical state: Solid
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
3.626
Temp.:
25 °C
Remarks on result:
other: test chemical is hydrophilic nature

Table 1.

Reference substance

Log Pow

Rt1

Rt2

Rt3

Mean Rt ± S.D.

k

Log k

Formamide

NA

0.977

0.922

0.922

0.94

0

0

4-Acetylpyridine

0.5

1.076

1.077

NA

1.0765

0.1448

-0.8391

Benzene

2.1

1.771

1.775

NA

1.773

0.886

-0.0526

Biphenyl

4

2.822

2.841

NA

2.8315

2.011

0.3034

Toluene

2.7

2.103

2.104

NA

2.1035

1.237

0.0924

Ethylbenzene

3.2

2.519

2.527

NA

2.523

1.6831

0.2261

Naphthalene

3.6

2.388

2.393

NA

2.3905

1.5422

0.1881

n-Butylbenzene

4.6

4.454

4.463

NA

4.4585

3.741

0.573

Table 2

Test substance

K

Log k

Log Pow

by Calibration Graph

 

Mean of Log Pow ± S.D.

 

Rt1

2.817

1.996

0.300

3.637

 

3.626 ± 0.016

 

Rt2

2.785

1.962

0.293

3.615

 

Conclusions:
The partition coefficient (n-octanol/water) of test substance 1H-benzimidazole was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 3.626 dimensionless at 25°C. This value indicates that the substance 1H-benzimidazole is hydrophilic in nature.
Executive summary:

The partition Coefficient n-octanol/water of test chemical 1H-benzimidazole 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 4-Acetylpyridine, Benzene, Biphenyl, Toluene, Ethylbenzene, Naphthalene, n-Butylbenzene having Pow value ranging from 0.5 to 4.6

The Log Pow value was determined to be3.626 dimensionless at 25°C.

This value indicates that the substance 1H-benzimidazole is hydrophilic in nature.

Description of key information

The partition coefficient (n-octanol/water) of test substance 1H-benzimidazole was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 3.626 dimensionless at 25°C. This value indicates that the substance 1H-benzimidazole is hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.626
at the temperature of:
25 °C

Additional information

The partition Coefficient n-octanol/water of test chemical 1H-benzimidazole 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 4-Acetylpyridine, Benzene, Biphenyl, Toluene, Ethylbenzene, Naphthalene, n-Butylbenzene having Pow value ranging from 0.5 to 4.6

The Log Pow value was determined to be 3.626 dimensionless at 25°C.

This value indicates that the substance 1H-benzimidazole is hydrophilic in nature.