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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:
19 June 2013 - 18 July 2013
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Test method according to EEC A.8 and OECD 107. GLP study.
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
GLP compliance:
yes (incl. certificate)
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
> 6.7
Temp.:
20 °C
Remarks on result:
other: No data on pH
Details on results:
The partition coefficient (Pow) was defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system, l-octanol and water. The log Pow of the substance at 20 ºC was determined to be > 6.7.
Conclusions:
The experimentally obtained (estimated from the ratio of the measured solubilities in the pure solvents) value of logarithm to base 10 of the substance partition coefficient 1-octanol/water (log Pow) at 20.0 °C was greater than 6.70. The average calculated, using QSAR assessment, value of this coefficient equals 8.38.
Executive summary:

The study of determination of partition coefficient l-octanol/water was carried out in accordance with method EEC A.8 and OECD 107. The substance is an UVCB substance and it was technically unfeasible to obtain the analytical standard for HPLC analysis. Moreover, the calculated value of partition coefficient was 8.38 (as weighted mean of a set of mixture components' log Kow values, calculated with KOWWIN EPISuite v4.1) and this value is out of applicability ranges of all available experimental methods. According with the ECHA Guidance on information requirements and chemical safety assessment Chapter R.7a, a ratio of the saturated water solubility (OECD 105) and saturated octanol solubility (no guideline currently available but based on the principles of OECD 105) was used for the measurement of CNSL's log Kow. The water solubility of the substance, at 20ºC, was determined to cover the range from 0.2 mg/l to 0.4mg/l. Value of 0.2 mg/l was taken for calculation. The solubility of the substance in 1-octanol was estimated as greater than 1000 g/l (10E+06 mg/l). Based on these results, the experimentally obtained partition coefficient l-octanol/water (log Pow) of the substance was > 6.70 at 20 ºC (estimated from the ratio of the measured solubilities in the pure solvents).

Description of key information

Key study: Test method EEC A.8, OECD 107. GLP study. The experimentally obtained partition coefficient l-octanol/water (log Pow) of the substance was > 6.70 at 20 ºC (estimated from the ratio of the measured solubilities in the pure solvents).

Key value for chemical safety assessment

Log Kow (Log Pow):
6.7
at the temperature of:
20 °C

Additional information

Key study: The study of determination of partition coefficient l-octanol/water was carried out in accordance with method EEC A.8 and OECD 107. Partition coefficient was measured as a ratio of the saturated water solubility and saturated octanol solubility was measurement. The experimentally obtained partition coefficient l-octanol/water (log Pow) of the substance was determined to be > 6.70 at 20 ºC.