Registration Dossier
Registration Dossier
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EC number: 943-893-0 | CAS number: -
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
log Koc = 0.77, Koc = 5.88 (pH 7, pKa = 6.25, ChemProp, acid model)
log Koc = 0.8; Koc = 6.36 L/kg (pH 7, pKa 6.22, ChemProp, acid model)
Key value for chemical safety assessment
- Koc at 20 °C:
- 5.88
Additional information
There is no experimental study available, in which the log Koc of Reaction mass of 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-{ 2-[hydroxy(phosphonooxy)-phosphinyl]oxyethyl]-thiazoliumchlorid and 3-[( 4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(2-phosphonooxyethyl)- thiazoliumchlorid-Dihydrat was assessed. Therefore, the log Koc was calculated by ChemProp v6.5 using the acid model at the environmentally relevant pH values of 4, 7, and 9 for the two main constituents, which account for ≥ 92% (w/w) of this multi-constituent substance.
Since both main constituents are salts, the log Koc was calculated for the corresponding acid forms of the two constituents. The main constituent (CAS 154-87-0) is the chloride salt of 2-[3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazoniol-5-yl]ethyl dihydrogen diphosphate (CAS 136-09-4), and the corresponding input parameters used for ChemProp include the pKa (4.78 at pH 4 and 6.25 at pH 7 and 9) as well as the log Kow (-4.9 at 20 °C, OECD 105) of the corresponding acid form (CAS 136-09-4). The second constituent (CAS 532-40-1) is the chloride salt of 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), and the corresponding input parameters used for ChemProp include the pKa (4.76 at pH 4 and 6.22 at pH 7 and 9) as well as the log Kow (-4.7 at 20 °C, EU Method A.8) of the corresponding acid form (CAS 10023-48-0).
The calculated log Koc values for the main constituent (CAS 154-87-0) are -0.37 at pH 4, 0.77 at pH 7 and 1.00 at pH 9. The calculated log Koc values for the second constituent (CAS 532-40-1) are -0.32 at pH 4, 0.80 at pH 7 and 1.02 at pH 9. The results indicate that the substance has a low potential for sorption to sediment and soil. The values obtained at pH 7 are retained as key values.
[LogKoc: 0.769]
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