Registration Dossier
Registration Dossier
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EC number: 221-201-1 | CAS number: 3030-47-5
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
There are no available experimental data of PMDETA for absorption/desorption endpoint. The Koc value of 36.53 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 PNEC derivation using EPM method and is considered asadequate for the chemical safety assessment (CSA) and no additional information is required.
Key value for chemical safety assessment
- Koc at 20 °C:
- 36.53
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 PMDETA is 173.30.
The Koc value of 36.53 L/kg estimated using MCI method - model KOCWIN v2.00 (US EPA, 2013b) indicates low sorption to soil / sediment and moderate migration to ground water.
No further study on adsorption/desorption is being proposed as according to column 2 of Annex IX to REACH Regulation the study does not need to be conducted if based on the substance physicochemical properties the substance can be expected to have a low potential for adsorption. Log Pow for PMDETA is -2.1.
[LogKoc: 1.5627]
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