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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:
Experimental Phase: 08 January 2018 to 29 June 2018. Report Issued: 28 August 2018.
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
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:
2.16
Temp.:
30 °C
pH:
6.6
Key result
Type:
Pow
Partition coefficient:
145
Temp.:
30 °C
pH:
6.6

The retention times, capacity factor and log10 Pow value determined for the sample are shown in the following table:

 Injection

 Retention Time

(mins)

 Capcity Factor

(K')

 Log10 K'  Log10 Pow
 1  4.384  1.296  0.113  2.16
 2  4.384  1.296  0.113  2.16

Mean log10 Pow: 2.16

Partition coefficient: 145

Conclusions:
The partition coefficient of the test item was determined to be 145, log10 Pow 2.16.
Executive summary:

Introduction

The partition coefficient of the test substance was determined using a high performance liquid chromatography (HPLC) method. The method was designed to be compatible with the following guidelines:

  • Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008
  • Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004

Method

The test system consisted of a high performance liquid chromatograph with an appropriate detector. A reverse phase HPLC column with a very low percentage of polar groups was used and the mobile phase contained at least 25% aqueous phase. Prior to the HPLC test a preliminary estimate was calculated based on fragment constant methodology using KOWWIN v1.68 (September 2010), © 2000 U.S. Environmental Protection Agency,

Results and Conclusion

The partition coefficient of the test item was determined to be 145, log10 Pow 2.16.

Description of key information

Log10 Pow value for the test substance using the HPLC method.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.16
at the temperature of:
30 °C

Additional information