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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
26 October to 2 November 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
yes (incl. certificate)
Remarks:
Swiss Federal Office of Public Health
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
>= 2.15 - <= 2.63
Temp.:
20 °C
pH:
6.4
Remarks on result:
other: range of four constituents

Results

The test item constituents showed up with four peaks. The log Pow-values of the four constituents were found to be 2.15, 2.28, 2.49 and 2.63. The detailed results are reported in the following table.

 

 

Results of Log Pow-Values of the test item

 

 

Retention

Time

[min]

Capacity

Factor

k'

Log k'

Log Pow

 

Sample 1

1st run

Peak 1

3.167

2.0452

0.3107

2.155

Peak 2

3.42

2.2885

0.3595

2.283

Peak 3

3.9

2.75

0.4393

2.493

Peak 4

4.267

3.1029

0.4918

2.631

Sample 1

2nd run

Peak 1

3.16

2.0385

0.3093

2.151

Peak 2

3.413

2.2817

0.3583

2.28

Peak 3

3.887

2.7375

0.4374

2.488

Peak 4

4.253

3.0894

0.4899

2.626

Sample 2

1st run

Peak 1

3.16

2.0385

0.3093

2.151

Peak 2

3.407

2.276

0.3572

2.277

Peak 3

3.88

2.7308

0.4363

2.485

Peak 4

4.253

3.0894

0.4899

2.626

Sample 2

2nd run

Peak 1

3.153

2.0317

0.3079

2.148

Peak 2

3.4

2.2692

0.3559

2.274

Peak 3

3.873

2.724

0.4352

2.482

Peak 4

4.24

3.0769

0.4881

2.621

Mean Value

Peak 1

 

2.15 ± 0.00

Peak 2

 

2.28 ± 0.00

Peak 3

 

2.49 ± 0.00

Peak 4

 

2.63 ± 0.00

 

 

Conclusions

The partition coefficient (n-octanol/water) log Pow of four constituents of the test item was determined using the HPLC method. The log Pow- values were 2.15, 2.28, 2.49 and 2.63. Thus, > 99 % of test item components have a log Pow in the range of 2.15 to 2.63.

Conclusions:
A log Pow range of 2.15 to 2.63 at 20 °C and pH 6.4 was determined for the test substance according to OECD 117.

Description of key information

Log Pow range: 2.15 to 2.63 at 20°C, pH 6.4 (OECD 117, HPLC method)

Key value for chemical safety assessment

Log Kow (Log Pow):
2.63
at the temperature of:
20 °C

Additional information

The test item is composed by four main constituents. The log Pow values were determined to be 2.15, 2.28, 2.49 and 2.63. Thus, > 99 % of test item components have a log Pow in the range of 2.15 to 2.63.