Cas no 90691-33-1 (Ethyl Acetate-d3)

Ethyl Acetate-d3 (C4D3H5O2) is a deuterated form of ethyl acetate, where three hydrogen atoms are replaced by deuterium. This isotopically labeled compound is widely used as a solvent and reagent in NMR spectroscopy, mass spectrometry, and kinetic studies, providing enhanced signal resolution and reduced interference in spectral analysis. Its high isotopic purity (>98%) ensures reliable results in quantitative and mechanistic research. Ethyl Acetate-d3 is particularly valuable in pharmaceutical and metabolic research for tracing reaction pathways and studying isotope effects. The compound maintains the chemical properties of standard ethyl acetate while offering the analytical advantages of deuterium labeling.
Ethyl Acetate-d3 structure
Ethyl Acetate-d3 structure
Product Name:Ethyl Acetate-d3
CAS No:90691-33-1
MF:C4H8O2
MW:91.1236066818237
CID:798638
Update Time:2025-07-23

Ethyl Acetate-d3 Chemical and Physical Properties

Names and Identifiers

    • Acetic-2,2,2-d3 acid,ethyl ester
    • Ethyl Acetate-d3
    • Inchi: 1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3/i2D3
    • InChI Key: XEKOWRVHYACXOJ-BMSJAHLVSA-N
    • SMILES: O(C(C([2H])([2H])[2H])=O)CC

Ethyl Acetate-d3 Pricemore >>

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Additional information on Ethyl Acetate-d3

Professional Introduction to Ethyl Acetate-d3 (CAS No. 90691-33-1)

Ethyl Acetate-d3, with the chemical formula C4H8O2-d3, is a deuterated derivative of ethyl acetate (CAS No. 90691-33-1), where the hydrogen atoms are partially replaced by deuterium atoms. This compound is widely utilized in the field of analytical chemistry and pharmaceutical research due to its unique properties and applications. The use of deuterated solvents like Ethyl Acetate-d3 helps in minimizing interference from hydrogen-deuterium exchange reactions during NMR spectroscopy, making it an invaluable tool for structural elucidation and dynamic studies.

The CAS number 90691-33-1 provides a unique identifier for Ethyl Acetate-d3, ensuring precise classification and differentiation from its non-deuterated counterpart. This specificity is crucial in scientific research, particularly in the development and characterization of new pharmaceutical compounds. The deuterated version maintains the chemical functionality of ethyl acetate while offering enhanced sensitivity and resolution in spectroscopic techniques.

In recent years, Ethyl Acetate-d3 has found significant applications in the study of metabolic pathways and drug metabolism. Its deuterated nature allows researchers to track the fate of compounds within biological systems more accurately. For instance, studies have demonstrated its utility in monitoring the degradation of pharmaceuticals in environmental matrices, providing insights into their persistence and potential impact on ecosystems. The compound's stability under various conditions makes it an ideal candidate for such long-term monitoring studies.

The pharmaceutical industry has also leveraged Ethyl Acetate-d3 in the synthesis and purification of active pharmaceutical ingredients (APIs). Its role as a solvent and reaction medium in organic synthesis ensures high yields and purity levels, which are critical for drug development. Additionally, the use of deuterated solvents helps in avoiding contamination from residual solvents, a key concern in pharmaceutical quality control.

Advancements in NMR spectroscopy have further highlighted the importance of Ethyl Acetate-d3. Modern NMR techniques benefit from the high resolution provided by deuterated solvents, enabling detailed structural analysis of complex molecules. This has been particularly beneficial in the study of protein-ligand interactions, where precise binding affinities and binding modes are essential for drug design. The compound's ability to suppress background signals enhances the clarity of NMR spectra, facilitating faster and more accurate data interpretation.

Another emerging application of Ethyl Acetate-d3 is in the field of green chemistry. As industries strive to reduce their environmental footprint, the use of sustainable solvents like deuterated ethyl acetate aligns with these goals. Its biodegradability and low toxicity profile make it an attractive alternative to traditional organic solvents. Research is ongoing to explore its potential in large-scale industrial processes, where its efficiency could lead to significant environmental benefits.

The chemical properties of Ethyl Acetate-d3 make it a versatile tool for researchers across multiple disciplines. Its compatibility with a wide range of analytical techniques, coupled with its stability under various conditions, ensures its continued relevance in scientific research. As methodologies evolve, the demand for high-purity deuterated solvents like Ethyl Acetate-d3 is expected to grow, driving further innovation and application development.

In conclusion, Ethyl Acetate-d3 (CAS No. 90691-33-1) is a critical compound in modern chemical research, offering unique advantages in analytical chemistry, pharmaceutical development, and environmental studies. Its deuterated nature provides enhanced precision and sensitivity in spectroscopic analyses, while its stability and compatibility make it suitable for diverse applications. As scientific understanding progresses, Ethyl Acetate-d3 will undoubtedly play an increasingly vital role in advancing knowledge across multiple fields.

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