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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:
July 1995
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)
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Remarks:
Preliminary test UV VIS/HPLC was performed
Partition coefficient type:
octanol-water
Analytical method:
gas chromatography
Key result
Type:
log Pow
Partition coefficient:
4.4
Temp.:
20 °C
pH:
7
Remarks on result:
other: pH was not reported (7 included as default)
Details on results:
The test article was quantified in each of the two phases after equilibration by means of GC/FID. The n-octanol phase was directly analyzed after dilution with acetone. Due to low concentrations of the test substance present in the aqueous phase, the test article was extracted from this phase with n-pentane. The extract was analyzed by GC. Validation of the extraction step was achieved by means of three spiking experiments with concentration levels of 1.00, 2.50 and 3.50 µg/mL. The obtained recoveries of the quality control (QC) samples ranged from 129.5% to 146.3%. Due to these high recoveries, the test samples (aqueous-phase) were corrected for the mean value of the QC recoveries. The mass balances indicated that the total quantity of the test substance originally introduced into the two-phase system was completely recovered after equilibration: total recoveries ranged from 100.1% to 110.7%.

Calculated values of the partition coefficient (P)

Sample No.

Partition coefficient (P)

Pow (individual values)

Mean Pow (for each set of test conditions)

Overall mean Pow (of all individual values)

Standard deviation (of all individual P values about the overall mean)

Log Pow

Absolute

Relative [%]

A1

25711.09

25576.78

24979.13

2013.89

8.06

4.4

A2

25442.46

B1

27199.75

26002.54

B2

24805.33

C1

21737.03

21737.03

C2

Not detected

Rounded figures are given in the table, but calculations were performed with the exact values.

Conclusions:
The partition coefficient was determined to be log Pow: 4.4 (20 -23°C)
Executive summary:

The partition coefficient of the test substance was determined according to OECD TG 107, with the shake flask method and was determined to be log Pow: 4.4 (20 -23°C)

Description of key information

The partition coefficient of the test substance was determined according to OECD TG 107, with the shake flask method and was determined to be log Pow: 4.4 (20 -23°C)

Key value for chemical safety assessment

Log Kow (Log Pow):
4.4
at the temperature of:
20 °C

Additional information