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Partition coefficient

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Description of key information

Using the Rekker method (in accordance with EC A.8, OECD 117 and EPA OPPTS 830.7570 and in compliance with GLP), the log Pow  for main component IPDA was calculated to be 1.97 and the log Pow for main component IPDA-BADGE-IPDA was calculated to be 9.20.

Key value for chemical safety assessment

Log Kow (Log Pow):
0.99
at the temperature of:
20 °C

Additional information

The partition coefficient of the UVCB substance could not be detremined experimentally, but modelling from the two main constituents was performed and led to a log Kow of 1.75 for isophoronediamine (58%) and a log Kow of 6.44 was estimated for IPDA-BADGE-IPDA (31%). Taken into consideration that the modelling is related to the neutral molecules that only appear at pH 10 and above, due to the fact that IPDA-BADGE-IPDA is many times protonated at pH 7 (azote groups), the molecule will be then charged positively four times at neutral pH.

Therefore, given the low LogKow value for IPDA which was estimated to be 1.75 but known to be experimentally of 0.99 and the above mentioned data for IPDA-BADGE-IPDA, as well as the high molecular weight of the other constituents (>1000) which make the constituent not bioavalaible. Therefore, the key value used for the chemical safety assessment is the experimental determined value form the main component (Isophoronediamine, IPDA) of 0.99.

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