Registration Dossier
Registration Dossier
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EC number: 931-288-4 | CAS number: -
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
Due to the rapid hydrolysis, performing of a study was regarded as useless. However, the QSAR determination of the carbon partition coefficient for 1,3-Diazetidine-2,4-dione, 1,3-bis(6-isocyanatohexyl) (CAS 23501-81-7) using the model KOCWIN included in the Estimation Program Interface (EPI) Suite v4.11 revealed values of 33330 L/kg (logKow method) and 18870 L/kg (MCI method) for the unaffected molecule of the substance as any decomposition (e.g. hydrolysis) of the substance is not taken into account by the program.
The organic carbon partition coefficient (Koc) of the corresponding diamine, 1,3-Diazetidine-2,4-dione, 1,3-bis(6-aminohexyl) was predicted using the QSAR calculation of the Estimation Program Interface (EPI) Suite v 4.11. This hydrolysis product is only hypthetical and was not found in a hydrolysis study. The Koc was estimated to be 799.5 L/kg (logKow method), and 642.2 L/kg (MCI method). The results relate to the unaffected molecule of the substance as any decomposition (e.g. hydrolysis) of the substance is not taken into account by the program (Currenta, 2014 g/Currenta, 2014 h).
Key value for chemical safety assessment
- Koc at 20 °C:
- 33 330
Additional information
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