Registration Dossier
Registration Dossier
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EC number: 939-626-2 | CAS number: 1474044-67-1
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
The log Koc was estimated by QSAR to be 7.99. However, for the purposes of the risk assessment a log Koc value of 6 is used, as this is the highest value recommended for use with EUSES models.
Key value for chemical safety assessment
- Koc at 20 °C:
- 1 000 000
Additional information
As the substance is a complex UVCB experimental determination of the log Koc was not considered to be feasible. In order to fulfil REACH requirements and provide a value for use in the risk assessment a QSAR estimation of the adsorption coefficient was made for a representative component of the substance using KOCWIN v2.00.
The log Koc was estimated by both molecular connectivity index (MCI) and by estimation from the log Kow. Both values indicated that the substance was likely to have a high affinity for binding to organic carbon. However, as the MCI method is generally condiderd to provide more accurate estimations of adsorption coefficient, the log Koc of 7.99 calculated by this method is the one taken into account for the risk assessment.
For the risk assessment a log Koc value of 6 is used, as this is the maximum recommended value for the EUSES risk assessment model, and this value is considered to represent the predicted high adsorption coefficient of the substance.
[LogKoc: 6.0]
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