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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:
2016-02-11
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)
Version / remarks:
2004
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Version / remarks:
2008
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
pKa ~ 7.75 at 25°C (according to ChemIDplus a TOXNET database, Dated: 28 Sep 2015; website: http:/chem.sis.nlm.nih.gov/chemidplus/rn/51-34-3)
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
1.31
Temp.:
20 °C
pH:
9

Two individual log Pow values for the test item were determined under consideration of two runs. Finally, the calculated mean log Pow of two runs for the test item is within a range of +- 0.1 log units (absolute deviation).

The test item solution prepared was injected into the HPLC system. The retention time was determined four times.

Table 1: Retention time and log Pow (mean of two runs)

 

Mean retention time [min]

Mean retention time of two runs [min]

Absolute deviation [min]

Mean log Pow

Mean log Pow of two runs

Absolute deviation of log Pow

First run

4.606

4.60

0.01

1.31

1.31

0.00

Second run

4.597

1.31

 

Table 2: Calibration parameter obtained from first run

 

Slope

 

Intercept

Log Pow

2.200975

X log k

+ 1.283936

R

0.9982

 

 

Table 3: Calibration parameter obtained from second run

 

Slope

 

Intercept

Log Pow

2.202944

X log k

+ 1.284768

R

0.9982

 

 

Conclusions:
The log Pow was determined to be 1.31 at 20°C
Executive summary:

The test item has a partition coefficient of 1.31 at 20°C as determined by HPLC method according to Regulation EC No. 440/2008 Method A.8. and OECD Test Guideline 117 (2004).

Description of key information

The log Pow was determined to be 1.31 at 20°C according to OECD 117 (HPLC method).

The test item has a partition coefficient of 3.1 as determined in the supporting study which was considered to be insufficient for assessment.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.31
at the temperature of:
20 °C

Additional information