Registration Dossier
Registration Dossier
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EC number: 600-039-9 | CAS number: 10023-48-0
Endpoint summary
Administrative data
Description of key information
Additional information
2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethyl hydrogen phosphate (CAS 10023-48-0) is an ionisable mono-constituent substance. Its calculated pKa values are 0.92, 4.76, and 6.22 (SPARC v4.6). A total of 12 chemical species were identified, three of which are relevant at environmentally relevant pH values in the range of 4 to 9 (speciation plot, SPARC v4.6). The log D profile (SPARC v4.6) shows that the substance is generally hydrophilic between pH 0 and 14 and that its hydrophilicity increases with increasing pH values.
The overall low log D (-3.3 to -8.0, pH 0 - 14), low log Kow (< 0.39, VEGA 1.2.3, MLogP v.1.0.0), high water solubility (286 g/L at 20 °C and pH 5.6, OECD 105, flask method) and the low, calculated log Koc (1.5, pH 7, pKa 6.22, ChemProp v6.5, acid model), indicate that water is the main compartment for environmental distribution. Furthermore, the substance is characterized by low vapor pressure (1.1E-05 hPa at 20 °C, OECD 104) and is therefore not expected to evaporate into the atmosphere. Experimental results showed that the substance is not readily biodegradable (39% ThODNH4 in 28 d/25% ThODNO3 in 28 d, OECD 301F) and hydrolytically stable for ≥ 30 d at environmentally relevant conditions (25 °C, pH 4.6 – 9.0). However, considering the very low estimated log Kow and log D profile, the potential for bioaccumulation is low.
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