Registration Dossier

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Description of key information

NBDI: in accordance with the ECHA Guidance on information requirements and chemical safety assessment (Chapter R.7a: Endpoint specific guidance), the Kow of the substance has been calculated with the KOWWIN program (version 1.67) and with the module ADME boxes by Pharma Algorithms (version 3.5). The average of the 2 predictions are taken as the key value for the CSA. LogKow is (3.808+3.48)/2 = 3.64 at 25 degrees Celsius.
NBDA: the partition coefficient of this substance is calculated with KOWWIN (version 1.67), part of EPI Suite: logKow is 0.96 at 25 degrees Celsius

Key value for chemical safety assessment

Additional information

It is technically not feasible to conduct the study as the substance reacts with water. In accordance with column 2 of REACH Annex VII, the Partition coefficient n-octanol/water of NBDI and NBDA have been calculated. For the human health part of the CSA, the key value for CSA is the logKow of NBDI (3.64 at 25 degrees Celsius) and for the environmental part of the CSA, the key value for CSA is the logKow of NBDA (0.96 at 25 degrees Celsius).