Registration Dossier
Registration Dossier
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EC number: 211-661-1 | CAS number: 682-09-7
Endpoint summary
Administrative data
Link to relevant study record(s)
Description of key information
No specific studies are available however based on the physicochemical data, toxicity data and theoretical assessment, the basic toxicokinetics of trimethylolpropane diallyl ether can be adequately characterised. Trimethylolpropane diallyl ether is likely to be rapidly and extensively absorbed following oral or inhalation exposure; absorption following dermal exposure is likley to be less extensive and more gradual. Rapid and extensive distribution is predicted. Extensive hepatic metabolism of Trimethylolpropane diallyl ether is predicted, indicating that excretion is rapid bioaccumulation is unlikely.
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
Additional information
No data are available, however an adequate assessment of the basic toxicokinetics of trimethylolpropane diallyl ether can be made from the exisiting chemistry and toxicity data and theoretical considerations, wtithout the need for specific testing.
Absorption
Extensive oral absorption of trimethylolpropane diallyl ether is predicted based on its molecular size, solubility, chemical structure and on the basis of experience with other related compounds. The trimethylolpropane diallyl ether molecule satisifies Lipinski's rule of 5 (OECD QSAR Toolbox) and is therefore considered likely to be bioavailable. Oral absorption is demonstrated by the findings of the acute oral toxicity study and systemic effects in the 30-day oral study. Absorption following inhalation exposure is also likely to be extensive. Dermal absorption is likely to be less extensive, but is likely to occur to some extent. The results of the acute dermal toxicity study support this theory.
Distribution
No data are available, however rapid and extensive distribition can be predicted based on the knowledge of other alcohols. Effects in the 30 -day study indicate distribution to the liver. The extensive hepatic metabolism predicted for trimethylolpropane diallyl ether
indicates that bioaccumulation is unlikely.
Metabolism
The OECD QSAR Toolbox (liver metabolism simulator) predicts a total of 32 liver metabolites of trimethylolpropane diallyl ether, no skin metabolites and one gastro-intestinal tract metabolite based on documented metabolic reactions seen with compounds containing similar functional groups. The extensive hepatic metabolism predicted for trimethylolpropane diallyl ether is consistent with the effects on the liver and additionally indicates that bioaccumulation is unlikely.
Excretion
Rapid and extensive renal and/or hepatic excretion of trimethylolpropane diallyl ether and its metabolites is likely, with no potential for bioacumulation based on chemical properties and also on the relatively low toxicity seen in the 30 -day study. The effects on the liver in the 30 -day study indicate that biliary excretion of the metabolites of trimethylolpropane diallyl ether is likely.
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