Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2013
Report date:
2013

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Details on test material:
- Purity: >96%

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
Pow
Partition coefficient:
>= 36 - <= 840
Temp.:
25 °C
Remarks on result:
other: based on the mean values for each of 3 peaks
Type:
log Pow
Partition coefficient:
>= 1.56 - <= 2.92
Temp.:
25 °C
Remarks on result:
other: based on the mean values for each of 3 peaks
Details on results:
The estimated log Pow and Pow are in the range of 1.56-2.92 and 36-840, respectively.

Applicant's summary and conclusion

Conclusions:
The estimated log Pow and Pow are in the range of 1.56-2.92 and 36-840, respectively.
Executive summary:

The partition coefficient of the test substance was determined according to OECD Guideline 117. The partition coefficient (P) is defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system. In this case there is a partitioning between the mobile solvent phase and the hydrocarbon stationary phase. This enables the relationship between the retention time on a reverse-phase column and the n-octanol/water partition coefficient to be established. Three series of reference solutions were measured with two parallel injections, each. The retention times were determined. The three calibration series and three test item series were measured alternately. Three main peaks were used for the calculation of the Pow and log Pow of the test item.

The estimated log Pow and Pow based on the mean values for each peak are in the range of 1.56-2.92 and 36-840, respectively.