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Partition coefficient

Link to relevant study record(s)

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:

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.

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.