Registration Dossier
Registration Dossier
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EC number: 911-351-2 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
One reliable key study is available on the registered substance. The experimental values of partition coefficient were estimated for the two main constituents, the mono-ester and the di-ester, at 1.49 x 10-2 (log Kow ≤-1.83) and 2.16 x 10-2 (log Kow -1.67), respectively.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.75
- at the temperature of:
- 21 °C
Additional information
The determination was carried out using a shake-flask method, according to Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008, Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 and GLP. No deviation from the guidelines was observed in this study.
The test system consists of an aqueous and an n-octanol phase in the same vessel. A defined amount of test item is added (pre-dissolved in the appropriate phase). Partition of the test item between both phases is then achieved by inversion of the mixture and the samples are analyzed by HPLC MS.
The partition coefficient of the monoester content of the test item has been determined to be less than or equal to 1.49*10 -2 corresponding to a Log Kow ≤ -1.83.
The partition coefficient of the diester content of the test item has been determined to be 2.16*10-2, corresponding to a Log Kow-1.67.
Test conditions were a temperature of 21.0 ± 0.5 °C and an aqueous phase pH range of 5.3 to 5.5. Based on dissociation constant values for the two dominant components present in the test item (pKa= 1.6 and 7.1 and for the mono-ester and pKa= 1.6 for the di-ester), this pH range resulted in maximum possible partition coefficient values within the environmentally relevant pH range of 5 to 9.
The geometric means between the two values, LogKow = -1.75 was chosen as key value for the purpose of chemical safety assessment.
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