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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 OECD test guidelines
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), 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:
3.815
Temp.:
25 °C
pH:
6.7
Remarks on result:
other: logKow was reported to be 3.815±0.020
Details on results:
The Partition coefficient (Pow) of the test chemical was determined to be 3.815±0.020 at 25°C

Table: List of reference substance taken for the study.

Reference substances

tR1

tR2

Mean tR ± SD

K

log K

Log Pow

Formamide

1.065

1.064

1.065±0.001

NA

NA

NA

Acetophenone

1.553

1.553

1.553±0.000

0.459

-0.338

1.3

Ethylbenzene

2.970

2.947

2.959±0.016

1.779

0.250

3.6

Diphenylamine

2.448

2.447

2.448±0.001

1.299

0.114

3.0

Biphenyl

3.327

3.320

3.324±0.005

2.122

0.327

4.0

Benzophenone

2.213

2.205

2.209±0.006

1.075

0.031

2.8

Butylbenzene

5.145

5.140

5.143±0.004

3.831

0.583

5.0

Table: Partition coefficient of test chemical.

Test chemical

K

Log K

Log Pow

Mean of Log Pow ± S.D

R1

3.144

 

1.953

 

0.291

 

3.801

 

 

3.815±0.020

 

R2

3.178

 

1.985

 

0.298

 

3.829

 

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 3.815 ± 0.020 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. The sample of test chemical was prepared by adding 4 μL in acetonitrile to prepare 442.32 mg/L and pH of the resulting solution was 6.7. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Formamide, Acetophenone, Ethylbenzene, Diphenylamine, Biphenyl, Benzophenone and Butylbenzene having Pow value ranging from 1.3 to 5.0. The Log Pow value was determined to be 3.815 ± 0.020 at 25°C.

Description of key information

On the basis of available data from 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.The sample of test chemical was prepared by adding 4 μL in acetonitrile to prepare 442.32 mg/L and pH of the resulting solution was 6.7. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Formamide,Acetophenone, Ethylbenzene, Diphenylamine, Biphenyl, Benzophenone and Butylbenzenehaving Pow value ranging from 1.3 to 5.0. The Log Pow value was determined to be 3.815 ± 0.020 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.815
at the temperature of:
25 °C

Additional information

On the basis of available data from study report, thepartition 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.The sample of test chemical was prepared by adding 4 μL in acetonitrile to prepare 442.32 mg/L and pH of the resulting solution was 6.7. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Formamide,Acetophenone, Ethylbenzene, Diphenylamine, Biphenyl, Benzophenone and Butylbenzenehaving Pow value ranging from 1.3 to 5.0. The Log Pow value was determined to be 3.815 ± 0.020 at 25°C.

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