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Partition coefficient

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Reference
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
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Remarks:
The study was conducted according to the test guidelines in effect at the time of study conduct.
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Remarks:
The study was conducted according to the test guidelines in effect at the time of study conduct.
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
< 1
Temp.:
25 °C
pH:
>= 4 - <= 9
Key result
Type:
Pow
Partition coefficient:
< 10
Temp.:
25 °C
pH:
>= 4 - <= 9
Details on results:
The main chromatographic component of the test substance was determined to have a retention time shorter than that of the lowest standard, acetanilide, which has a known log10Pow value of 1.0. A log10Pow value of less than 1.0 was thus indicated, equivalent to a Pow value of less than 10, at each of pH 4, pH 7 and pH 9.
Conclusions:
This study and the conclusions which are drawn from it fulfil the quality criteria (validity, reliability, repeatability).
The test substance was determined to have a log10Pow value of less than 1.0, equivalent to a Pow value of less than 10, at each of pH 4, pH 7 and pH 9.
Executive summary:

A study was performed to determine the n-octanol/water partition coefficient of the test substance using the HPLC method in accordance with OECD guideline 117. As the test substance contains ionisable functional groups, separate tests were performed at each of pH 4, pH 7 and pH 9. A solution of the test substance (approximately 4 g/L in HPLC mobile phase, and also containing an internal deadtime standard. at the same concentration as in the reference mixture) was prepared and chromatographed in duplicate, bracketed by samples of the reference mixture. A partition coefficient was deduced from the capacity factor, k. Then a calibration plot of log10k versus log10Pow was constructed for the reference standards. The logarithm of the capacity factor for the test substance was then calculated and the log10Pow value was determined by interpolation.

The main chromatographic component of the test substance was determined to have a retention time shorter than that of the lowest standard, acetanilide, which has a known log10Pow value of 1.0. A log10Pow value of less than 1.0 was thus indicated, equivalent to a Pow value of less than 10, at each of pH 4, pH 7 and pH 9.

Description of key information

log Kow <1 at 25°C and pH 4-9

Key value for chemical safety assessment

Log Kow (Log Pow):
1
at the temperature of:
25 °C

Additional information

OECD Guideline 117