Benzimidazole

Partition coefficient

Link to relevant study record(s)

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

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.