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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:
EU Method A.8 (Partition Coefficient - HPLC Method)
Version / remarks:
2008
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
2004
GLP compliance:
yes (incl. certificate)
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:
A log Pow of 2.80 at 24.7 °C was determined for the test item according to E.U. Method A.8.
Executive summary:

The partition coefficient (n-octanol / water) of 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 logKow of test item was determined to be 2.8 at 24.7 °C.

Description of key information

Log Pow: 2.80 at 24.7 °C (EU Method A.8, HPLC method)

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 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 logKow of test item was determined to be 2.8 at 24.7 °C.