Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
09 March 2016 to 20 July 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2016
Report Date:
2016

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
liquid

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Key result
Type:
Pow
Partition coefficient:
0.764
Temp.:
22.2 °C
pH:
5.4
Key result
Type:
log Pow
Partition coefficient:
-0.117
Temp.:
22.2 °C
pH:
5.4
Details on results:
Preliminary Estimate: The estimated log10 Pow was calculated to be -1.67.

Definitive Test: The peak areas obtained for the standard, stock and sample solutions are shown in the following two tables in the following section

Any other information on results incl. tables

Definitive Test:

ORGANIC PHASE
Solution Peak Area
Standard 5.07 mg/L 9.804E+05
Standard 5.25 mg/L 8.834E+05
Stock A 9.451E+05
Sample 1 7.212E+05
Sample 2 7.754E+05
Sample 3 7.536E+05
Sample 4 7.199E+05
Sample 5 6.871E+05
Sample 6 6.606E+05
Stock B 8.341E+05
AQUEOUS PHASE
Solution Peak Area
Standard 5.07 mg/L 9.635E+05
Standard 5.25 mg/L 8.524E+05
Sample 1 9.481E+05
Sample 2 7.737E+05
Sample 3 8.787E+05
Sample 4 8.587E+05
Sample 5 9.969E+05
Sample 6 1.189E+06

The total weights (mg) and analyzed concentration (mg/L) of the respective phases are shown in the following table:

Sample Number Total Weight (mg)* Organic Phase Aqueous Phase % Recovery
Analyzed Concentration (mg/L) Weight (mg)† Analyzed Concentration (mg/L) Weight (mg)† pH
1 79.2 199 5.19 269 14 5.5 100
2 17.7 214 5.15 220 10.5 5.4 89
3 28.8 313 12.2 374 14.6 5.4 93
4 28.8 299 11.6 365 14.3 5.4 90
5 38.4 380 19.8 566 14.7 5.4 90
6 38.4 365 19.0 675 17.6 5.4 95
* From analysis of the stock solution
† From analysis of the respective phase

pH of Octanol saturated water: 7.1

The partition coefficient determined for each sample is shown in the following table:

Sample Number Organic/Aqueous Volume Ratio Partition Coefficient Log10 Pow Mean Partition Coefficient
1 1:2 0.741 -0.130 0.859
2 0.977 -0.010
3 1:1 0.836 -0.078 0.826
4 0.817 -0.088
5 2:1 0.672 -0.173 0.606
6 0.541 -0.267

Applicant's summary and conclusion

Conclusions:
The partition coefficient of the test item has been determined to be 0.764 at 22.2 ± 0.5 °C, log10 Pow -0.117.
Executive summary:

Partition Coefficient (n-octanol/water) was determined to be 0.764 at 22.2 ± 0.5 °C, log10 Pow -0.117, using the shake-flask method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.