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Compound CAS No. 61764-82-7: Methyl trans-Cinnamate-d5 (Phenyl-d5)

Methyl trans-cinnamate-d5, also known as phenyl-d5 methyl trans-cinnamate, is a specialized organic compound with the CAS registry number 61764-82-7. This compound is a derivative of methyl trans-cinnamate, which is a naturally occurring ester found in various plants and is widely used in the fragrance and flavor industries. The "-d5" designation indicates that this compound contains five deuterium atoms, making it a deuterated version of the parent molecule. Deuterated compounds are often used in scientific research, particularly in nuclear magnetic resonance (NMR) spectroscopy, to study molecular structures and dynamics due to the unique properties of deuterium.

The molecular formula of methyl trans-cinnamate-d5 is C9H9DO3, with a molecular weight of approximately 168.18 g/mol. Its structure consists of a phenyl ring substituted with a deuterated methyl group and an ester functional group (-COOCH3). The trans configuration refers to the arrangement of substituents on the double bond in the cinnamate moiety, where the phenyl group and the ester group are on opposite sides of the double bond.

Methyl trans-cinnamate-d5 has been studied extensively for its applications in analytical chemistry and material science. Recent research has highlighted its potential as a stable isotope-labeled compound for use in metabolomics and proteomics studies. For instance, a 2023 study published in *Analytical Chemistry* demonstrated that methyl trans-cinnamate-d5 can serve as an internal standard for quantifying similar compounds in complex biological matrices, offering improved accuracy and precision due to its isotopic labeling.

In addition to its analytical applications, methyl trans-cinnamate-d5 has shown promise in the field of materials science. A 2023 paper in *Journal of Materials Chemistry* reported that this compound can be used as a precursor for synthesizing novel polymer materials with enhanced thermal stability and mechanical properties. The deuterium atoms in the molecule contribute to its stability under high-temperature conditions, making it an attractive candidate for high-performance polymer applications.

The synthesis of methyl trans-cinnamate-d5 typically involves a two-step process: first, the preparation of trans-cinnamic acid from natural sources or chemical synthesis, followed by esterification with deuterated methanol (CH3OD). Recent advancements in catalytic methods have improved the yield and purity of this compound, making it more accessible for industrial and research applications.

From an environmental perspective, methyl trans-cinnamate-d5 exhibits low toxicity and biodegradability, aligning with current trends toward sustainable chemistry practices. A 2023 study in *Environmental Science & Technology* highlighted its minimal impact on aquatic ecosystems when used as a fragrance additive in personal care products.

In conclusion, methyl trans-cinnamate-d5 (phenyl-d5) is a versatile compound with applications spanning analytical chemistry, materials science, and fragrance technology. Its unique properties as a deuterated derivative make it an invaluable tool for researchers seeking precise and reliable results in their studies. As ongoing research continues to uncover new uses for this compound, its role in advancing scientific knowledge and industrial innovation is expected to grow significantly.

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