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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:
2009
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Principles of method if other than guideline:
The reference logPow-values in the OECD-guideline presumably refer to 25 °C. The column temperature was 40 °C. However, the influence of this temperature difference on the calculated logPow value lies within the range of the error of the method.




GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
1.6
Temp.:
40 °C
pH:
6.2
Details on results:
The log Pow value of - 0.4 was calculated with the software KOWWIN v1.66 assuming the nonionic form. KOWWIN is owned by the U.S.Environmental Protection Agency.
Conclusions:
he partition coefficient (log Pow) of the test item is 1.6 (100 area % of the test item) at 40 °C estimated by the HPLC method.
Executive summary:

The partition coefficient (log Pow) of the test item is 1.6 (100 area % of the test item) at 40 °C estimated by the HPLC method according to OECD guideline 117 (Currenta, 2009).

Description of key information

The partition coefficient (log Pow) of the substance is 1.6 (100 area % of the test item) estimated by HPLC method according to OECD guideline 117 (Currenta, 2009).

Key value for chemical safety assessment

Log Kow (Log Pow):
1.6
at the temperature of:
40 °C

Additional information

The HPLC method enables partition coefficients to be estimated in the log Pow range between 0 and 6. This method, however, is not applicable to strong acids and bases, metal complexes, substances which react with the eluent, or surface-active agents. Measurements should be made on ionisable substances in their non-ionized from (free acid or free base), using only an appropriate buffer with a pH below the pK for a free acid or above the pK for a free base. The pKa value is 14.02 ±0.10 (calculated with the software ACD/pKa v 7.0 at a simplified structure of the test item). Therefore the undissociated form (protonated form) exists at a pH value < 13.