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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
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
1.9
Temp.:
25 °C
pH:
7
Details on results:
The partition coefficient was determined based on a calibration curve using at least 6 reference compounds. The difference between the three measurements of the reference mixture is less than the given limit of 0.1 log units. Therefore the study is considered to be valid. The linearity of the method was proved in the log Pow range from 0.5 to 3.4.

Capacity Factor k' and log P.* of the Test item

 

Compound analysis

Time

Capacity Factor

Log k

logPow

 

[min]

 

 

 

I "experiment (50 % acetonitrile / 50 % water as mobile phase)

 

 

1

5.08

1.8

0.26

1.9

2

5.07

1.8

0.26

1.9

3

5.07

1.8

0.26

1.9

mean value'

5.07

18

0.26

1.9

2** experiment (5O % acetonitrile / 50 % buffer solution as mobile phase)

 

1

4.55

2

0.3

1.8

2

4.54

1.9

0.28

1.8

3

4.56

2

0.3

1.8

mean value

4.55

2

0 29

1.8

 

Conclusions:
The partition coefficient (n-octanol / water) was determined to be logPow 1.9 at 25 °C.
Executive summary:

A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the HPLC method retention times tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The partition coefficient was determined based on a calibration curve using at least 6 reference compounds. The difference between the three measurements of the reference mixture is less than the given limit of 0.1 log units. Therefore the study is considered to be valid. The logPow of the test iem was determined to be 1.9 at 20°C.

Description of key information

The partition coefficient (n-octanol / water) was determined to be logPow 1.9 at 25 °C.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.9
at the temperature of:
20 °C

Additional information

A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the HPLC method retention times tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated (reference 4.7 -1). The partition coefficient was determined based on a calibration curve using at least 6 reference compounds. The difference between the three measurements of the reference mixture is less than the given limit of 0.1 log units. Therefore the study is considered to be valid. The logPow of the test iem was determined to be 1.9 at 20°C.