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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
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:
4.66
Temp.:
25 °C
pH:
7.4
Remarks on result:
other: logKow was reported as 4.660±0.011 at 25°C
Details on results:
The Partition coefficient (log Pow) of the test chemical was determined to be 4.660±0.011 at 25°C.

Result:

Table: List of reference substances

Reference Substance

LogPow

Tr1

Tr2

Mean S.D

K

Log Pow

Formamide

1.048

1.047

1.048±0.001

NA

NA

NA

Benzene

1.939

1.94

1.940±0.001

0.852

-0.07

2.7

Naphthalene

2.65

2.651

2.651±0.001

1.53

0.185

3.3

Toluene

2.345

2.343

2.344±0.001

1.238

0.093

3.1

Ethyl benzene

2.865

2.866

2.866±0.001

1.736

0.239

3.4

Biphenyl

3.246

3.243

3.245±0.002

2.097

0.322

3.7

DDT

9.391

9.387

9.389±0.003

7.963

0.901

5

Table: Partition coefficient value of test chemical.

Test substance

K

Log k

Log Pow

by Generalized Calibration Graph

 

Mean of Log Pow ± S.D.

 

Rt1

7.218

5.891

0.770

4.669

4.660±0.011

 

Rt2

7.227

5.899

0.771

4.652

 

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 4.660±0.011 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 sample of test chemical was prepared by adding 10 mg in acetonitrile to prepare 1000 mg/L this was sonicated for 2 mins and filtered through 0.22 μm nylon syringe filter.pH of the resulting solution was 7.4. The analysis was performed at constant recommended conditions such as temperature 25°C (solvent: water) ratio 75:25 at the flow rate of 1 mL/min at 210 nm. The reference substances were chosen according to estimated Pow range of the test substance and generalize calibration graph was prepared. Selected reference substances and test chemical were prepared in acetonitrile with concentration of 400 mg/L. Both were analyzed on HPLC considering the similar conditions. After analyzing on above conditions calibration curve of selected reference substances was prepared to obtain log Pow value. The reference substances were Benzene, Naphthalene, Toluene, Ethyl benzene, Biphenyl, DDT having log Pow value ranging from 2.7 to 5.0 The partition coefficient (log Kow) value of test chemical was determined to be 4.660±0.011 at 25°C. Thus, test chemical was considered to be hydrophobic in nature.

Description of key information

Based on the available data from study report,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 sample of test chemical was prepared by adding 10 mg in acetonitrile to prepare 1000 mg/L this was sonicated for 2 mins and filtered through 0.22 μm nylon syringe filter.pH of the resulting solution was 7.4. The analysis was performed at constant recommended conditions such as temperature 25°C (solvent: water) ratio 75:25 at the flow rate of 1 mL/min at 210 nm. The reference substances were chosen according to estimated Pow range of the test substance and generalize calibration graph was prepared. Selected reference substances and test chemical were prepared in acetonitrile with concentration of 400 mg/L. Both were analyzed on HPLC considering the similar conditions. After analyzing on above conditions calibration curve of selected reference substances was prepared to obtain log Pow value. The reference substances were Benzene, Naphthalene, Toluene, Ethyl benzene, Biphenyl, DDT having log Pow value ranging from 2.7 to 5.0 The partition coefficient (log Kow) value of test chemical was determined to be 4.660±0.011 at 25°C. Thus, test chemical was considered to be hydrophobic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.66
at the temperature of:
25 °C

Additional information

Based on the available data from study report,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 sample of test chemical was prepared by adding 10 mg in acetonitrile to prepare 1000 mg/L this was sonicated for 2 mins and filtered through 0.22 μm nylon syringe filter.pH of the resulting solution was 7.4. The analysis was performed at constant recommended conditions such as temperature 25°C (solvent: water) ratio 75:25 at the flow rate of 1 mL/min at 210 nm. The reference substances were chosen according to estimated Pow range of the test substance and generalize calibration graph was prepared. Selected reference substances and test chemical were prepared in acetonitrile with concentration of 400 mg/L. Both were analyzed on HPLC considering the similar conditions. After analyzing on above conditions calibration curve of selected reference substances was prepared to obtain log Pow value. The reference substances were Benzene, Naphthalene, Toluene, Ethyl benzene, Biphenyl, DDT having log Pow value ranging from 2.7 to 5.0 The partition coefficient (log Kow) value of test chemical was determined to be 4.660±0.011 at 25°C. Thus, test chemical was considered to be hydrophobic in nature.