Registration Dossier
Registration Dossier
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EC number: 201-137-0 | CAS number: 78-73-9
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
RA_CAS 67-48-1_KOCWIN v2.00 (EPIWIN software by US-EPA): 1.438 L/kg (MCI Method), 3.736E-3 L/kg (Traditional Method) - low soil adsorption potential. Substance is a QAC, thus adsorption will depend on the cation-exchange capacity of the sorbent and other parameters.
RA_CAS 67-48-1_SRC PCKOWIN v1.66: Koc: 2.34, logKoc: 0.37 - low soil adsorption potential
Key value for chemical safety assessment
- Koc at 20 °C:
- 1.438
Additional information
The organic carbon-normalized sorption coefficient (Koc) of Choline hydrogen carbonate was not determined experimentally. In accordance to REACH, Annex VIII, Section 9.3.1, column 2, an experiment does not need to be conducted if a low adsorption potential can be expected based upon the physico-chemical properties of the substance. This can be assumed for the test substance based on its physico-chemical properties although the octanal-water partition coefficient (logPow) could not be determined experimentally. In this case, the Koc is usually predicted with the QSAR software KOCWIN v2.00 (EPIWIN software by US-EPA), however, Choline hydrogen carbonate is lying out of the domain of the program. Reliable results are available for the read-across substance Choline chloride (CAS 67-48-1) and can be therefore applied also to the target substance. Please refer to the detailed read-across statement by Chemservice S.A. (2013) for justification of this procedure. Two different models are used by the QSAR program for the estimation of the Koc: the Sabljic molecular connectivity (MCI) method as well as with the traditional method. For Choline chloride the traditional method gives a Koc of 3.736E-3 L/kg, whereby the MCI method reveals a value of 1.438 L/kg as result. The MCI method is taken more seriously into account due to the fact, that it includes improved correction factors. However, due to the fact that Choline chloride is a Quaternary Ammonium Compound (QAC), the adsorption will depend on the cation-exchange capacity of the sorbent and a variety of other parameters. Another result is given for Choline chloride, published in the OECD SIDS Report (2005) for substance. Here, the prediction itself was performed with SRC PCKOWIN v1.66 by BASF AG (2003). No details about the input are available, however, the unpublished data is considered as reliable with restriction (Klimisch 2) and is regarded as critical study for the SIDS endpoint. As result, a Koc of 2.34 with a corresponding logKoc of 0.37 is reported. This information is regarded as supporting information to confirm that the test substance possess only a low soil adsorption potential.
[LogKoc: 0.1576]
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