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EC number: 447-060-8 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The partition coefficient (n-octanol/water) of DV6850 has been determined experimentally as log Pow => 1.86 at 20°C. Using the Koc to derive the Pow, a log Pow of >=4.99 was obtained. A QSAR calculation led to log Pow = 5.38. All data suggests a significant partition coefficient for this test substance. A log Pow of 4.99 will be taken into account in the chemical safety assessment.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.99
- at the temperature of:
- 40 °C
Additional information
The partition coefficient (n-octanol/water) of the test item DV6850 has been determined in a valid GLP study according to OECD guideline 107 and EU method A.8.
The concentrations of the substance in the aqueous and organic phase were determined by HPLC. For the aqueous phase, no peak was observed for the test substance and the concentration in this phase was quoted as less than the limit of detection of the method which has been found to be 0.97 mg/L. The concentration in the organic phase was limited by the solubility of the test substance in the octanol stock solution. Hence the partition coefficient has been determined experimentally as >1.86. The actual partition coefficient is likely to be significantly greater than this value.
The partition coefficient however can be calculated as Log Koc = 0.544 Log Pow + 1.377. Substituting the measured value of Log Koc of >4.09, a partition coefficient result of Log Pow >= 4.99 is obtained.
The partition coefficient was also estimated using a QSAR calculation method. The partition coefficient estimated by this method was log Pow =5.38. Therefore, all data suggests a high partition coefficient for this test substance.
In conclusion, the experimentally determined partition coefficient (n-octanol/water) is log Pow>=1.86 at 20°C , the one calculated from the Koc is log Pow>=4.99 and the one derived with the QSAR is log Pow=5.38. A log Pow of 4.99 will be taken into account in the chemical safety assessment.
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