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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 by 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:
3.633
Temp.:
25 °C
Remarks on result:
other: other details not available

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±0.032

0

0

4-Acetylpyridine

0.5

1.076

1.077

NA

1.0765±0.001

0.1448

-0.8391

Benzene

2.1

1.771

1.775

NA

1.773±0.003

0.886

-0.0526

Biphenyl

4

2.822

2.841

NA

2.8315±0.013

2.011

0.3034

1,4-Dichlorobenzene

3.4

2.57

2.572

NA

2.571±0.001

1.734

0.239

1,2,4-Trichlorobenzene

4.2

3.502

3.492

NA

3.497±0.007

2.719

0.4344

Chlorobenzene

2.8

2.024

2.03

NA

2.027±0.004

1.155

0.0626

Toluene

2.7

2.103

2.104

NA

2.1035±0.001

1.237

0.0924

Ethylbenzene

3.2

2.519

2.527

NA

2.523±0.006

1.6831

0.2261

Naphthalene

3.6

2.388

2.393

NA

2.3905±0.004

1.5422

0.1881

n-Butylbenzene

4.6

4.454

4.463

NA

4.4585±0.006

3.741

0.573

 

 

 

Table 2:

Test substance

 

K

Log k

Log Pow

by Calibration Graph

Mean of Log Pow ± S.D.

Rt1

2.802

1.980

0.297

3.631

3.633 ± 0.003

Rt2

2.802

1.987

0.298

3.636

Conclusions:
The partition coefficient (n-octanol/water) of test substance was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 3.633 ± 0.003 dimensionless at 25°C.
Executive summary:

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 4-Acetylpyridine, Benzene, Biphenyl, 1,4-Dichlorobenzene, 1,2,4-Trichlorobenzene, Chlorobenzene, Toluene, Ethylbenzene,Naphthalene, n-Butylbenzene, were chosen having log Pow range from 0.5 to 4.6.The Log Pow value was determined to be 3.633 ± 0.003 dimensionless at 25°C.

Description of key information

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 4-Acetylpyridine, Benzene, Biphenyl, 1,4-Dichlorobenzene, 1,2,4-Trichlorobenzene, Chlorobenzene, Toluene, Ethylbenzene,Naphthalene, n-Butylbenzene, were chosen having log Pow range from 0.5 to 4.6.The Log Pow value was determined to be 3.633 ± 0.003 dimensionless at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.633
at the temperature of:
25 °C

Additional information

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 4-Acetylpyridine, Benzene, Biphenyl, 1,4-Dichlorobenzene, 1,2,4-Trichlorobenzene, Chlorobenzene, Toluene, Ethylbenzene,Naphthalene, n-Butylbenzene, were chosen having log Pow range from 0.5 to 4.6.The Log Pow value was determined to be 3.633 ± 0.003 dimensionless at 25°C.