Registration Dossier
Registration Dossier
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EC number: 204-646-6 | CAS number: 123-72-8
Endpoint summary
Administrative data
Link to relevant study record(s)
Description of key information
Short description of key information on bioaccumulation potential result:
A theoretical assessment of the toxicokinetics of the substance indicates rapid and extensive absorption and distribution; rapid hepatic metabolism to butanoic and excretion are likely to limit systemic exposure and toxicity. No bioaccumulation is predicted.
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
Additional information
An adequate assessment of the toxicokinetics of n-butyraldehyde can be made from the existing data and using a theoretical approach based on the physicochemical properties of the substance and knowledge of the toxicokinetic properties of related substances. This assessment indicates rapid and extensive absorption and distribution; rapid metabolism and excretion are likely to limit systemic exposure and toxicity. No bioaccumulation is predicted.
Discussion on bioaccumulation potential result:
No specific studies are required. According to Column 1 of Annex VIII of the REACH regulation, Assessment of the toxicokinetic behaviour of the substance (to the extent that can be derived from the relevant available information) is required and this is provided. An adequate assessment of the basic toxicokinetics of n-butyraldehyde can be made from the existing toxicity data and theoretical considerations, without the need for specific testing.
Absorption
Extensive oral absorption is predicted based on the substance molecular size, solubility, chemical structure and on the basis of experience with other related aldehyde compounds. The molecule addtionally satisifies Lipinski's rule of 5 (OECD QSAR Toolbox). Absorption following inhalation exposure is also likely to be extensive. Dermal absorption is likely to be extensive as evidenced by the results of the acute dermal toxicity studies.
Distribution
No data are available, however rapid and extensive distribition can be predicted based on the knowledge of related compounds.
Metabolism
N-butyraldehyde is a structurally simple organic substance and its mammalian metabolism can be readily predicted using knowledge of the metabolism of other simple aldehydes. Oxidative metabolism of the terminal aldehyde group by cytochrome P450 and other enzymes to form the corresponding acid, butanoic (butyric) acid, is predicted.
Excretion
Rapid and extensive renal excretion of n-butyraldehyde and its metabolite butanoic acid is predicted, based on their water solubility. Bioaccumulation is considered to be unlikely
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