Registration Dossier
Registration Dossier
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EC number: 204-469-4 | CAS number: 121-44-8
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
This endpoint is not expected to be an important environmental fate for Triethylamine. Different calculation methods were used to estimate the logKow and Kow value of the substance. SCR PCKOWINv1.66 will only take the uncharged molecule into account, whereby the calculation method according to Franco and Trapp considers the ionic structure at different pH values.
Key value for chemical safety assessment
- Koc at 20 °C:
- 107.2
Additional information
A calculation was performed by BASF AG using SCR PCKOWIN v1.66, the computer tool from US-EPA, resulting in a Koc of 107.2 and a logKoc of 2.03.
The data of this calculation tool refer to the uncharged molecule. Since Triethylamine possess a pKa value of 10.75, it will exist almost completely as a cation in the environment. Cations generally adsorb stronger to soil containing organic carbon and clay than their neutral counterparts. Hence, the SCR PCKOWINv1.66 model may underestimate adsorption to organic carbon since it does not consider the ionic structure of the molecule.
For this reason another calculation approach was used: according to Franco and Trapp the logKoc (as well as the Koc) value will be the same if the environment possesses a pH of 7 or 5 (logKoc: 2.57 and Koc: 370 in both cases). Even at pH 9 no great discrepancy will be occur from the values given before (logKoc: 2.56, Koc: 367). Thus this calculation method assess the pH - dependency of logKoc for Triethylamine.
Another calculation was published by Lyman et al. (1982). The octanol/water partition coefficient and water solubility was used for a recommend regression equation whereby an estimated Koc of 11 – 146 was obtained.
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