Registration Dossier
Registration Dossier
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EC number: 203-233-8 | CAS number: 104-75-6
Endpoint summary
Administrative data
Description of key information
Additional information
Estimates by the MCI method and the log-Kow method of KOCWIN v2.00 (EPISuite v4.11; BASF SE 2015) calculated for 2-ethylhexylamine log Koc values of 2.65 (MCI) and 2.46 (log Kow).
However, a pKa value of 10.41 indicates that the molecule will primarily exist as a cation in the environment. Cations generally adsorb stronger to soils containing organic carbon and clay than their neutral counterparts. Therefore, the KOCWIN-model may underestimate adsorption to organic carbon, as it does not consider the ionic structure of the molecule. In a calculation conducted according Franco & Trapp (2008, 2009 & 2010), a pH-corrected log Koc value of 3.91 (at pH 7) was calculated.
Hence, referring to the charged molecule at pH 7, the substance is expected to adsorb to suspended solids and sediment. However, considering the ready biodegradability of the substance significant long-term adsorption to the solid soil phase is not expected.
Henry’s Law Constant:
Using the substance’s vapour pressure and water solubility as parameters for the calculation (VP/WS-method) the Henry’s Law Constant of 2-ethylhexylamine was estimated to be 8.27 Pa*m³/mol. In addition, the HLC was calculated by using HENRYWIN v3.20 (EPISuite v 4.11) to be 5.58 Pa*m³/mol. These estimations refer to the uncharged molecule.
Based on the calculated data the substance is expected to slowly evaporate into the atmosphere from the water surface; however, as the chemical is ionized at environmentally relevant pH levels, evaporation of the dissolved fraction of the substance into the atmosphere is assessed to be neglectable.
Distribution modelling:
Over time, the substance will preferentially distribute into the compartment air (72.5%) and air (24.9%)
The data refer to the uncharged molecule (pKa value 1: 10.41. The substance is supposed to be charged under environmentally relevant conditions.Therefore the distribution into water may be still underestimated.
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