Registration Dossier
Registration Dossier
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EC number: 700-908-3 | CAS number: 19444-21-4
Endpoint summary
Administrative data
Link to relevant study record(s)
Description of key information
Major pathways are assumed to be ester cleavage to 2-hydoxyisobutyric acid and allyl alcohol. Allyl alcohol is oxidised to acrolein that reacts readily with glutathione. Further processing of the endcon and exocon results in the mercapturic acid and 2-carboxyethylmercapturic acid. Other pathways are most probable of minor importance if at all. Therefore the 3 major metabolites expected, excreted preferentially via urine , are 2-hydroxyisobutyric acid, 3-hydroxypropylmercapturic acid and carboxyethylmercapturic acid.
The biotransformation reactions expected to take place are given in the attached figure.
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
Additional information
Toxicokinetic Assessment of CA 2215 A
CA 2215 A i.e. 2-hydroxy-2-methyl-propionic acid allyl ester, is an intermediate for the production of the herbicide CGA 276854.
Based on the physiochemical properties of CA 2215 A, being both non-ionic and sufficiently soluble in water (170 g/L), it is assumed to be absorbed rapidly and to a high extent from the gastrointestinal tract into the systemic circulation in animals. Degradation is assumed to take place to a significant extent with a certain amount of unchanged compound excreted. Due to water solubility of CA 2215 A rapid and almost complete excretion, together with its metabolites, is expected, mainly via the urine. Biliary and ultimately faecal excretion and/or partial reabsorption giving rise to enterohepatic circulation of metabolites are assumed to be of minor importance. Due to the rapid and almost complete excretion low tissue residues are predicted. As a consequence no retention and accumulation of CA 2215 A and/or its metabolites is expected.
Metabolism is anticipated to be complex with a lot of polar metabolites.
Major pathways are assumed to be ester cleavage to 2-hydoxyisobutyric acid and allyl alcohol. Allyl alcohol is oxidised to acrolein that reacts readily with glutathione. Further processing of the endcon and exocon results in the mercapturic acid and 2-carboxyethylmercapturic acid. Other pathways are most probable of minor importance if at all. Therefore the 3 major metabolites expected, excreted preferentially via urine , are 2-hydroxyisobutyric acid, 3-hydroxypropylmercapturic acid and carboxyethylmercapturic acid.
The biotransformation reactions expected to take place are given in the attached figure.
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