Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
October 4, 2007-January 22, 2008
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Study has been performed according to OECD and EC guidelines and according to GLP principles.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2008
Report Date:
2008

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Physical state: Blue solid lumps
- Stability under test conditions: Stable
- Storage condition of test material: at room temperature in the dark

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
> 6.5
Temp.:
22 °C
pH:
7
Details on results:
In the chromatogram of the test substance solution no test substance peak was observed during isocratic elution with 75/25 (v/v) methanol/water. Yet, one test substance peak was observed at 16.2 minutes which is during the column rinse, i.e. under gradient conditions. Under isocratic conditions the retention time of 2,4-DDT (log Pow = 6.5) was 0.50 minutes. Hence, it was concluded that the log Pow of test substance was > 6.5 (Pow > 3.2 x 10^6).

Impurities with a peak area percentage of > 1% of the total peak area were not observed.

Any other information on results incl. tables

Calculation of the Pow

The calculation of the log Pow value of a modified structure (i.e. the Cu2+ was substituted by a carbon atom and the C15 chains were shortened to C7) by aid of the Rekker-calculation method resulted in a theoretical log Pow value of 33.72. 

 

Calculation of the pKa

No pKa values were calculated for acidic and basic groups in the modified molecular structure of the test substance in the logarithm range of 1 – 14.

 

Applicant's summary and conclusion

Conclusions:
The logPow value of the test substance is > 6.5