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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 November 2005 - 11 February 2006
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)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Batch n°: 00467090 (charge 05C0836)
- Expiration date: 04 May 2006
- Purity: 99.9%
- Storage condition of test material: at room temperature at about 20°C
Analytical method:
gas chromatography
Key result
Type:
log Pow
Partition coefficient:
-0.4
Temp.:
21 °C
pH:
>= 4.59 - <= 4.91

 Sample No.  concentration of the test item found     pH of the aqueous phase  Pow  log Pow
   n-octanol phase (µg/mL)  aqueous phase* (µg/mL)      
 1 188.23   444.04  4.66  0.424  -0.37
 2 187.09  496.07  4.59  0.377  -0.42
 3 244.61   536.03 4.75   0.456  -0.34
 4  236.87  631.17  4.73  0.375  -0.43
 5  274.94  618.10  4.91  0.445  -0.35
 6  263.36  685.62  4.90  0.384  -0.42

* containing the test item

The mean value Pow (rounded) is 0.410 (standard deviation +/- 0.036) and the log Pow is -0.4 (standard deviation +/- 0.038).

Conclusions:
The log Pow of T002907 was determined by the flask shaking method to be -0.4.

Description of key information

The partition coefficient of T002907 was determined in a GLP study performed according to OECD Guideline 107, EU Method A.8 (Weissenfeld M, 2006).

The shake flask method at pH between 4.59 and 4.91 was applied for the determination of the partition coefficient (Pow). The log Pow of T002907 was -0.4.

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.4
at the temperature of:
21 °C

Additional information