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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:
14 November 2016 to 18 January 2017
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 - Shake Flask Method)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
other: shake flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
<= -3.75
Temp.:
30 °C
pH:
6.9
Details on results:
RESULTS
- The preliminary estimate of partition coefficient was found to be to be 9.37 x 10-5 at 22.0 ± 0.5 °C with Log Pow of -4.03.
- Absorbances obtained for the standard, stock and sample solutions are shown in Table 12 and Table 13 (attached).
- The analysed concentration (mg/L) and test item weight (mg) of the respective phases are shown in Table 14 (attached).
- The partition coefficient determined for each flask is shown in Table 15 (attached).

VALIDATION
- The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 25 to 500 mg/L. The results were satisfactory with a correlation coefficient (r) of 1.000 being obtained.
Conclusions:
The partition coefficient of the test item was determined to be less than or equal to 1.76 x 10E-04 at 21 ± 1 °C, with a log10 Pow of ≤ -3.75.
Executive summary:

GUIDELINE

The determination was carried out by the shake-flask method, using a procedure designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.

 

METHODS

The test system consisted of an aqueous and an n-octanol phase in the same vessel. A defined amount of test item was added (pre-dissolved in the appropriate phase). Partition of the test item between both phases was achieved by inversion of the mixture. The temperature was in the range of 20 °C to 25 °C and kept constant (± 1 °C).

 

RESULTS

The partition coefficient of the test item was determined to be less than or equal to 1.76 x 10E-04 at 21 ± 1 °C, with a log10 Pow of ≤ -3.75.

Description of key information

The partition coefficient of the research material was determined to be less than or equal to 1.76 x 10E-04 at 21 ± 1 °C, with a log10 Pow of ≤ -3.75 (OECD 107 and EU Method A.8).

Key value for chemical safety assessment

Log Kow (Log Pow):
-3.75
at the temperature of:
30 °C

Additional information

GUIDELINE

The determination was carried out by the shake-flask method, using a procedure designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.

 

METHODS

The test system consisted of an aqueous and an n-octanol phase in the same vessel. A defined amount of test item was added (pre-dissolved in the appropriate phase). Partition of the test item between both phases was achieved by inversion of the mixture. The temperature was in the range of 20 °C to 25 °C and kept constant (± 1 °C).

 

RESULTS

The partition coefficient of the research material was determined to be less than or equal to 1.76 x 10E-04 at 21 ± 1 °C, with a log10 Pow of ≤ -3.75.