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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:
09 January 2019 - 06 March 2019
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
27 July 1995
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
gas chromatography
Key result
Type:
log Pow
Partition coefficient:
>= -0.76 - <= -0.7
Temp.:
22 °C
pH:
>= 7.3 - <= 7.6
Details on results:
In the partition coefficient test, maximum concentrations in both phase (n-octanol and water) were less than 0.01M and temperature ranged from 22.8 to 22.9˚C during the procedure of the test.
The log Pow values of 2,3-butanediol((2R,3R)-rich) from the all three runs with the different ratios were -0.71±0.01, -0.76±0.02 and -0.70±0.00, respectively. The average value of log Pow for 2,3-butanediol((2R,3R)-rich) was -0.72±0.03.
The average log Pow value of 2,3-butanediol((2R,3R)-rich) from the three runs with the different ratios was -0.72±0.03. The variation of partition coefficient calculated with different volume ratio was within ±0.3 log Pow. This result was within acceptable range specified by the OECD test guideline.
Conclusions:
Log Pow for 2,3-butanediol((2R,3R)-rich) was determined to be -0.72±0.03.
Executive summary:

Octanol/water partition coefficient test of 2,3-butanediol((2R,3R)-rich) was performed by the shake flask method following the OECD Test No.107 (Adopted 27.07.95) and in compliance with GLP.

Prior to the partition coefficient test, the validation for the analytical method was performed, showing recoveries of 2,3-butanediol((2R,3R)-rich) in both phases (n-octanol and water phase) were of 96.4±2.1 and 96.7±2.8%, respectively. The log Pow values of 2,3-butanediol((2R,3R)-rich) from the three duplicate runs with three different solvent ratios were -0.71±0.01, -0.76±0.02 and -0.70±0.00, respectively. Therefore, the average value of log Pow for 2,3-butanediol((2R,3R)-rich) was determined to be -0.72±0.03. It was within the acceptable range (less than ±0.3 units) specified by OECD test guideline.

Description of key information

Log Pow for 2,3-butanediol((2R,3R)-rich) was determined to be -0.72±0.03.

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.72
at the temperature of:
22 °C

Additional information

Octanol/water partition coefficient test of 2,3-butanediol((2R,3R)-rich) was performed by the shake flask method following the OECD Test No.107 (Adopted 27.07.95) and in compliance with GLP.

Prior to the partition coefficient test, the validation for the analytical method was performed, showing recoveries of 2,3-butanediol((2R,3R)-rich) in both phases (n-octanol and water phase) were of 96.4±2.1 and 96.7±2.8%, respectively. The log Pow values of 2,3-butanediol((2R,3R)-rich) from the three duplicate runs with three different solvent ratios were -0.71±0.01, -0.76±0.02 and -0.70±0.00, respectively. Therefore, the average value of log Pow for 2,3-butanediol((2R,3R)-rich) was determined to be -0.72±0.03. It was within the acceptable range (less than ±0.3 units) specified by OECD test guideline.