Registration Dossier
Registration Dossier
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EC number: 201-137-0 | CAS number: 78-73-9
Endpoint summary
Administrative data
Description of key information
Additional information
Transport and distribution of Choline hydrogen carbonate was not investigated experimentally. Important parameters of this chapter are the organic carbon-normalized sorption coefficient (Koc) and the Henry´s Law constant (HLC). Although the HLC is no mandatory requirement under REACH, it is also used in the chemical safety assessment (CSA), i.e. for the derivation of the PNECsoil using the equilibrium partitioning method (EPM). Usually, the octanol-water partition coefficient (logPow) is the first indication if a substance possesses a potential to adsorb to organic soil particles or not. However, based on the composition of Choline hydrogen carbonate, this parameter could not be determined experimentally. Furthermore, it is not possible to perform predictions with the scientifically accepted QSAR program EPIWIN by US-EPA. Due to the importance of these parameters, a read-across is intended to the structural analogue Choline chloride (CAS 67-48-1), which is considered as reliable (please refer to the detailed justification in the separate read-across statement of Chemservice S.A., 2013). Using the traditional method of the EPIWIN software KOCWIN v2.00, the Koc of Choline chloride is given as 3.736E-3 L/kg. The MCI method, which is taken more seriously into account due to improved correction factors, resulted in a value of 1.438E-3 L/kg. The adsorption depends on a variety of parameters (i.e. on the cation-exchange capacity of the sorbent) since the substance is a Quaternary Ammonium Compound (QAC). The OECD SIDS report for Choline chloride (2005) confirms that result, since therein a prediction with SRC PCKOWIN v1.66 is reported, resulting in a Koc of 2.34 (BASF AG, 2003). Thus, the read-across substance Choline chloride as well as the target substance Choline hydrogen carbonate possesses no potential to adsorb to organic matter in soil.
The HLC is predicted using the EPIWIN software HENRYWIN v3.20 for the read-across substance Choline chloride (Chemservice S.A., 2013). The Bond Method reveals a value of 2.05E-11 Pa*m3/mol at 25 °C. An “incomplete result” is given by the Group Method. These results are also taken into account for the target substance Choline hydrogen carbonate.
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