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EC number: 247-063-2 | CAS number: 25513-64-8
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The partition coefficient n-octanol / water of 2,2,4 (or 2,4,4)-trimethylhexane-1,6-diamine was determined according to OECD guideline no. 117 (2004) and EU test method A.8 (2008) with the HPLC method. The result was Kow = 0.50 and log Kow = -0.3 at 25 °C and pH 7.5.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.3
- at the temperature of:
- 25 °C
Additional information
Determination of the partition coefficient of the undissociated substance would have required a high pH value where HPLC columns are not stable. The QSAR results (log Kow = 1.291 or 1.63, respectively) indicate that the partition coefficient of the undissociated substance is higher than that determined at pH 7.5 where considerable dissociation occurs. This is also reflected in the experimental results of Hüls AG (1989) (log Kow = 0.70 or 0.77) where apparently no buffer was used, which increased the pH value of the test solutions via the basic character of the test substance and thereby the ratio undissociated / dissociated.
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