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EC number: 926-126-4 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- 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
- 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 - Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- 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.
Reference
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.
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