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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:
11 May 2009 - 30 July 2009
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
other: estimation method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
-3.8
Temp.:
20 °C
Remarks on result:
other: pH was not measured
Key result
Type:
Pow
Partition coefficient:
0
Temp.:
20 °C
Remarks on result:
other: pH was not measured

Preliminary test:

The content of test substance dissolved in the n-octanol sample was 0.202 g/L.

 

Main study:

The 24-hour measurement was significantly higher than the 48- and 72- hour measurements (maximum difference > 15%). According to the guidelines, the octanol solubility of the test substance was given as the mean value of the 48- and 72-hour measurements (i.e. 0.124 g/L, mean of 0.132 and 0.116 g/L). The Pow, calculated as the quotient of the n-octanol- and water solubility, is 1.51x10-4. This corresponds with a log Pow value of -3.8.

 

A small response was detected in the chromatograms of the pre-treated samples from the blank octanol mixture. Further investigation revealed that the response may originate from an impurity present in the octanol. The analysed concentrations were not corrected for the blank response as such a correction appears not relevant in view of the high water solubility of the test substance in comparison to the solubility in n-octanol. The calculation of Powand log Powwould not be affected. 

Conclusions:
The estimation method was used for the determination of the partition coefficient (n-octanol/water) Pow of Sodium Monochloroacetate (SMCA). The Pow and log Pow values of the test substance are 1.51x10E-4 and -3.8, respectively.

Description of key information

The octanol water partition coefficient was calculated from the ratio of the octanol and water solubility of SMCA. The Kow and log Kow values of the test substance are 1.51x10E-4 and -3.8, respectively.

Key value for chemical safety assessment

Log Kow (Log Pow):
-3.8
at the temperature of:
20 °C

Additional information