Registration Dossier
Registration Dossier
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EC number: 200-655-4 | CAS number: 67-48-1
Endpoint summary
Administrative data
Description of key information
Adsorption / desorption:
Calculation according to Franco and Trapp (2008): Koc = 37.7 (logKoc = 1.6) at pH 7 and 25 °C
Henry's Law constant:
QSAR Calculation_HENRYWIN v3.21 (EPIWIN software by US-EPA): 2.05E-11 Pa*m³/mol at 25 °C
Additional information
No experimental results are available concerning transport and distribution of Choline chloride in the different environmental compartments. Based upon the intrinsic properties of Choline chloride (i.e. logPow of -3.77, BASF AG, 1988), no experiment is triggered in order to determine the organic carbon-normalized sorption coefficient (Koc).
In a first attempt, the EPIWIN software KOCWIN v2.01 was used to predict this value (Chemservice S.A., 2018c, updated 2022), resulting in the following values: the traditional method gives a Koc of 3.736E-3 L/kg, whereby the MCI method, which is taken more seriously into account, reveals a value of 1.438 L/kg as result. An important note is the fact that Choline chloride is a Quaternary Ammonium Compound (QAC) and therefore the adsorption will depend on the cation-exchange capacity of the sorbent and a variety of other parameters. The training set of the KOCWIN software does not include any QACs, therefore, the estimation is outside the prediction domain of the program.
Therefore, the adsorption / desorption coefficient was calculated using the calculation method by Franco & Trapp. These Koc values give a good indication on the adsorption potential of a ionizing substance depending on the pH conditions of soil. The method is based on the dissociation constant pKa and the logKow for the uncharged. The Koc value at 25 °C war nearly the same for the range of pH 5 -8 . The resulting Koc at pH 7 is 37.7 L/kg (log Koc: 1.6)
Further confirmation, that the substance has no soil adsorption capacity is reported in the OECD SIDS Report for Choline chloride (2005). A prediction with SRC PCKOWIN v1.66 is reported therein, resulting in a Koc 2.34 (BASF AG, 2003).
Although the Henry´s Law Constant (HLC) is no mandatory requirement under REACH, it is an important parameter for PNEC derivation using the EPM. Therefore, the value was predicted with HENRYWIN v3.21 (Chemservice S.A., 2018c, updated 2022). Using the Bond Method of the computer program HENRYWIN from US-EPA a Henry´s Law Constant of 2.05E-11 Pa*m3/mol was calculated for the substance Choline chloride at 25 °C. The Group Method showed an “incomplete Result”.
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