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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:
01 Dec - 02 Dec 2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Version / remarks:
2008
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
2004
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Remarks:
Staatliches Gewerbeaufsichtsamt Hildeshelm
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
2.8
Temp.:
24.7 °C
Remarks on result:
other: No pH value was measured for this mobile phase, because it is neutral. Furthermore the test item does not have functional groups with influence on the pH value of the mobile phase.

Results of Test Item Analysis


 


The mean temperature of 24.7 °C was inside the range of 20 - 25 °C ± 1 °C during the course of the study.


 


Retention Times, Capacity Factors and Partition Coefficients of the test item


































Test item



tR(min)



k



Log k



Log Pow



10.765



17.9



1.25



1stcalibration



2ndcalibration



10.775



17.9



1.25



2.80 +/- 0.06


2.65 to 2.95 (95 % CI)



2.80 +/- 0.06


2.65 to 2.95 (95 % CI)



Mean



10.770



17.9



1.25



2.80



 


tR: Retention time


k: Capacity factor test item


Pow: Partition Coefficient (n-octanol / water)


CI : Confidence Interval


 


Conclusions


Two individual log Pow values for the test item were derived under consideration of the first and second calibration. A mean value was calculated from these individual log Pow values to be 2.80.

Conclusions:
The log Pow of the test item was determined to be 2.80 at 24.7 °C.
Executive summary:

The partition coefficient (n-octanol / water) of the test item was determined according to OECD Guideline 117 (2004) and Council Regulation (EC) No. 440/2008 Method A.8 under GLP. The test was performed with a concentration of 2750 mg/L test item in 55 % methanol : 45 % HPLC water. Samples of the test item were analysed via HPLC on a C18 column with diode array detection. Thg logPow of test item was determined to be 2.8 at 24.7 °C.

Description of key information

The log Pow of the test item was determined to be 2.80 at 24.7 °C.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.8
at the temperature of:
24.7 °C

Additional information

The partition coefficient (n-octanol / water) of the test item was determined according to OECD Guideline 117 (2004) and Council Regulation (EC) No. 440/2008 Method A.8 under GLP. The test was performed with a concentration of 2750 mg/L test item in 55 % methanol : 45 % HPLC water. Samples of the test item were analysed via HPLC on a C18 column with diode array detection. Thg logPow of test item was determined to be 2.8 at 24.7 °C.

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