Registration Dossier
Registration Dossier
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EC number: 223-861-6 | CAS number: 4098-71-9
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The octanol-water partition coefficient of isophorone diisocyanate was calculated using a well established QSAR method at log Kow = 4.75. The partition coefficient n-octanol/water of isophorone diamine, which is the monomeric hydrolysis product of isophorone diisocyanate, is log Kow = 1.67 at 20 °C (shake-flask method, OECD TG 107 / EU method A.8).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.75
- at the temperature of:
- 25 °C
Additional information
Experimental verification of the QSAR value is hardly possible because of the rapid hydrolysis of the test substance. Also due to hydrolysis, the partition coefficient of the hydrolysis product, for which isophorone diamine may be considered as a surrogate, is relevant for evaluating the environmental behavior of isophorone diisocyanate.
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