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EC number: 944-610-3 | CAS number: 286472-48-8
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The partition coefficient (Pow) of FRET 05-0293 at 25.0 ± 0.5 °C has been determined using a slowstirring method designed to be compatible Method 123 of the OECD Guidelines for Testing of Chemicals, 23 March 2006. The results are summarized in the following table:
| Vessel | 1 | 2 | 3 |
| Mean Log10 Pow | 3.97 | 3.97 | 3.97 |
| Standard Deviation | 1.76 x 10-2 | 5.82 x 10-3 | 1.20 x 10-2 |
| Variance | 3.08 x 10-4 | 3.39 x 10-5 | 1.43 x 10-4 |
Weighted average log10 Pow : 3.97
Partition coefficient (Pow) : 9.23 x 103
Variance weighted log10 Pow standard deviation : 6.03 x 10-4
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.97
- at the temperature of:
- 20 °C
Additional information
The determination of partition coefficient was carried out using the slow-stirring method, using a procedure designed to be compatible with Method 123 of the OECD Guidelines for Testing of Chemicals, 23 March 2006.
Pre-saturated n-octanol and aqueous two phase systems are maintained within specialized glass vessels. The glass vessels are jacketed to allow temperature control of the solutions and are also designed to give access to both phases for sampling without disturbance of the opposite phase or phase boundary. A stock solution of test item is prepared in water saturated n-octanol at a concentration below both 70% of its saturation concentration in n octanol and 0.1 M. A volume of this stock solution is then “slow stirred” with a volume of n-octanol saturated water, until an equilibrium concentration between the two phases is confirmed by analysis.
The slow-stirring method is optimal for highly hydrophobic substances and may be preferential to the shake-flask procedure (OECD 107 or equivalent) as this may be prone to contamination of the aqueous phase with micro-droplets of the organic phase, thus leading to a systematic underestimation of the partition coefficient value. Stirring of the two phase system enhances the exchange of test item between the phases to accelerate partition equilibrium without the formation of potentially problematic micro-droplets. This procedure has been employed to establish experimental values of up to a log10 Pow value of 8.2
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