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Methyl Acetate-d3

Catalog Number ACM21300549-1
CAS 21300-54-9
Structure Structure
Molecular Weight 77.1
Molecular Formula CD3COOCH3
Application Labeled methyl acetate. Used as a low toxicity solvent in glues, paints, and nail polish removers. A precursor to acetic anhydride.
Storage Keep container closed when no tin use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances
Isotopic Enrichment 99%D
Type Research Compounds
MSDSDownload MSDS
Case Study

Methyl Acetate-d3 Identified as a Decomposition Product of Diacyl Peroxides

NMR spectra of decomposition products (such as methyl acetate-d3) of deaerated solutions of acetyl benzoyl peroxide. Haidukevich, O. A., et al. Journal of Applied Spectroscopy, 2012, 79, 302-306.

Diacyl peroxides (DP) have a wide range of industrial applications, for example as polymerization initiators. Benzoyl peroxide (BP) and acetylbenzoyl peroxide (ABP) were selected as the research objects and their decomposition under temperature and microwave irradiation was studied in methanol-d4. During the decomposition, many compounds were formed and identified (δ, ppm), among which the proton chemical shift of methyl acetate-d3 was (CH3C(O)OCD3 (MA)) CH3 (2.02).
The figure on the right presents the NMR spectra of decomposition products from deaerated acetyl benzoyl peroxide (ABP) solutions subjected to thermal treatment (2 hours at 343 K) and microwave irradiation (2 minutes). In both cases, approximately 60% decomposition occurs, yielding the same set of products. However, the relative concentrations of these products differ notably, particularly those derived from the acetoxyl group of the peroxide. Microwave-treated samples show higher levels of methyl benzoate (MB), benzene-D (B-D), methyl acetate-D3 (MA), ethanol-D (E-D), and ethane (E), while the amounts of benzoic acid-D (BAD) and acetic acid-D (AA-D) are reduced. Additionally, polymer formation increases, as indicated by the chemical shifts (δ, ppm): CH2 at 1.30 and CH3 at 0.88.

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