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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Partition coefficient

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Description of key information

In accordance with column 2 of REACH Annex VII, the test cannot be performed, as the substance is hydrolytically unstable (hydrolyses immediately in water). 
The calculated partition coefficient (KOWWIN v 1.68) on the basis of the structural formula of the ideal HDI Trimer with 3 HDI (2H-1,3,5-Oxadiazine-2,4(3H)-dione, dihydro-3,5-bis(6-isocyanatohexyl)-6-[(6-isocyanatohexyl)imino]-) units is 8.38 .
By calculation the log Pow value of 8.38 for the main constituent of HDI Trimer (HDI Isocyanurate, n = 3) was calculated according to the KOWWIN program, v. 1.67 © 2000 U.S. Environmental Protection Agency. The calculated log Pow of the corresponding triamine of the main constituent (2H-1,3,5-Oxadiazine-2,4(3H)-dione, dihydro-3,5-bis(6-aminohexyl)-6-[(6-aminohexyl)imino]-) is 4.11.

Key value for chemical safety assessment

Log Kow (Log Pow):

Additional information

Read-across from structure-analogue HDI oligomers, isocyanurate:

A determination of the partition coefficient cannot be performed. In the water solubility study, the TNb-results determined are only slightly above the LOQ. As the test item and the hydrolysis products are only poorly soluble in water it is expected that after shaking with n-octanol, the residue in the aqueus phase is below the limit of quantitation of 1 mg/L. A determination of the partition coefficient is therefore not possible.The substance hydrolyses rapidly with a half life of 7.7 hours. Therefore, an experimental study with HDI trimer type is scientifically unjustified. The hydrolysis product is a complex mixture of water-insoluble oligomeric and polymeric ureas and of compounds derived from isocyanurates (n-3, 5, 7) where the isocyanate groups have been transformed to amino groups. Although being a more theoretical approach, an ideal structure the "corresponding triamine of the asym. HDI trimer (n=3)" was considered in order to get an estimation on the behaviour of the hydrolysed product. For both, the unreacted HDI Iminooxacolindione (n=3) as well as for the corresponding triamine of the sym.HDI trimer (n=3), calculated.