Registration Dossier
Registration Dossier
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EC number: 500-191-5 | CAS number: 68082-29-1
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
Studies on adsorption could not be conducted for this substance due to issues with technical feasibility. However, a QSAR has been conducted to estimate the adsorption coefficient for the purpose of the risk assessment. The estimated log Koc ranges from 6.5062 to 8.5812.
Key value for chemical safety assessment
- Koc at 20 °C:
- 1 000 000
Additional information
Due to the UVCB nature of the substance and the fact that accurate analytical methods were not available for the material, the standard tests for adsorption/desorption were not technically feasible. As such, it was considered that a QSAR was necessary to provide the information on adsorption for the risk assessment.
The QSARs were conducted for a component of the material that was considered to be representative. The adsorption coefficient was estimated for this component using KOCWIN v2.00, with estimates based on both molecular connectivity index and an estimated log Kow value. The estimated log Koc from the MCI method was 8.5812 (Koc = 3.812x108 L/kg). The estimated log Koc from the octanol:water partition coefficient was 6.5062 (3.27x106 L/kg).
It is likely that these Koc values are underestimates as the material is known to have ionic and cationic properties which would increase the adsorption coefficient. As such, the higher estimated log Koc of 8.5812 is likely to be a more representative value.
All available evidence strongly indicates that the substance will have a very high adsorption coefficient. For the purposes of the risk assessment the Koc has been set to 1x106 L/kg. This is the maximum recommended value for the models which have been used for the risk assessment, and as the values calculated by QSAR are in excess of this, it is considered to be the most appropriate value for modelling purposes.
[LogKoc: 6.0]
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