Registration Dossier
Registration Dossier
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EC number: 216-378-7 | CAS number: 1569-69-3
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
There are no available experimental data of cyclohexanethiol for absorption/desorption endpoint. The Koc value of 223.9 L/kg is estimated using MCI method - model KOCWIN v2.00 (US EPA, 2013b). The substance falls within the applicability of the domain and therefore the predicted value can be considered as reliable taking into account the statistical information for the MCI (Molecular Connectivity Index, first-order) training and validation datasets.
The predicted value was used for completing the registration documentation for transported intermediate.
Key value for chemical safety assessment
- Koc at 20 °C:
- 223.9
Additional information
KOCWIN estimates Koc using the Molecular Connectivity Index (MCI) and a log Kow-based method. The MCI method is more robust and been in use longer. Currently there is no universally accepted definition of model domain. Log Koc estimates are less accurate for compounds outside the MW range of the training set compounds and/or that have more instances of a given fragment than the maximum for all training set compounds.
Applicability of the domain is molecular weight (MW): 32.04 - 665.02. MW of cyclohexanethiol is 116.22.
The Koc value of 223.9 L/kg estimated using MCI method - model KOCWIN v2.00 (US EPA, 2013b) indicates moderate sorption to soil / sediment and slow migration to ground water.
[LogKoc: 2.369]
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