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Environmental fate & pathways

Adsorption / desorption

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Description of key information

Key value for chemical safety assessment

Koc at 20 °C:
39

Additional information

In accordance with column 2 of REACH Annex VIII, the adsorption/desorption test (required in § 9.3.1) does not need to be conducted as the substance can be expected to have a low potential for adsorption. The substance has indeed a low octanol water partition coefficient (log Pow = 0.57). However, a Koc value is required for the estimation of several PNECs. Therefore, Koc was estimated by a validated Q-SAR model using the molecular connectivity method (MCI) with the Kocwin 2.0 software. DETU has 2 aliphatic nitrogen to carbon groups and one thiocarbonyl group. It falls therefore in the scope of the MCI model, as indicated in appendix D of the user manual of Kocwin 2.0. Koc=39 L/kg

[LogKoc: 1.59]