Cas no 58735-82-3 (Ethyl Acetate-!3C)

Ethyl Acetate-!3C is a high-purity solvent widely used in industrial and laboratory applications. Its key advantages include excellent solvency for resins, coatings, and adhesives, as well as low toxicity and fast evaporation rates, making it ideal for formulations requiring quick drying. The product is characterized by its consistent quality, low water content, and minimal impurities, ensuring reliable performance in chemical synthesis and extraction processes. Ethyl Acetate-!3C is also compatible with a broad range of organic compounds, offering versatility in pharmaceutical and food industries. Its stability and neutral odor further enhance its suitability for precision applications.
Ethyl Acetate-!3C structure
Ethyl Acetate-!3C structure
Product Name:Ethyl Acetate-!3C
CAS No:58735-82-3
MF:C4H8O2
MW:89.0977764129639
CID:948960
Update Time:2025-10-30

Ethyl Acetate-!3C Chemical and Physical Properties

Names and Identifiers

    • Ethylacetate(2-13C)
    • [2-13C]acetic acid ethyl ester
    • [2-13C]-ethyl acetate
    • 279390_ALDRICH
    • C-2 13C-labeled ethyl acetate
    • ethyl [2-13C]acetate
    • ethyl < 2-13C> acetate
    • ethyl 2-13C-acetate
    • Ethyl acetate-2-13C
    • I14-52507
    • Ethyl Acetate-!3C
    • Inchi: 1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3/i2+1
    • InChI Key: XEKOWRVHYACXOJ-VQEHIDDOSA-N
    • SMILES: O(C([13CH3])=O)CC

Computed Properties

  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 2
  • Complexity: 49.5
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 26.3
  • Surface Charge: 0
  • Tautomer Count: nothing

Experimental Properties

  • Color/Form: liquid
  • Density: 0.902?g/mL?at 25?°C
  • Melting Point: -84?°C(lit.)
  • Boiling Point: 76-77?°C(lit.)
  • Flash Point: 26?°F
  • Refractive Index: n20/D 1.372(lit.)
  • Solubility: Not available
  • Vapor Pressure: 73 mm Hg ( 20 °C)

Ethyl Acetate-!3C Security Information

  • Hazardous Material transportation number:UN 1173 3/PG 2
  • WGK Germany:3
  • Hazard Category Code: 11-36-66-67
  • Safety Instruction: 16-26-33
  • Hazardous Material Identification: F Xi
  • Risk Phrases:11-36-66-67
  • Explosive Limit:11.4%

Ethyl Acetate-!3C Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
279390-1G
Ethyl Acetate-!3C
58735-82-3
1g
¥4644.1 2023-12-09
TRC
E939185-2.5mg
Ethyl Acetate-!3C
58735-82-3
2.5mg
$133.00 2023-05-18
TRC
E939185-10mg
Ethyl Acetate-!3C
58735-82-3
10mg
$471.00 2023-05-18
TRC
E939185-25mg
Ethyl Acetate-!3C
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$ 1200.00 2023-09-07
A2B Chem LLC
AG70699-1g
ETHYL ACETATE (2-13C)
58735-82-3 99%13C
1g
$1038.00 2024-04-19

Additional information on Ethyl Acetate-!3C

Ethyl Acetate-13C (CAS No. 58735-82-3): An Overview of Its Properties, Applications, and Recent Research Advances

Ethyl Acetate-13C (CAS No. 58735-82-3) is a labeled compound that has gained significant attention in various scientific and industrial applications due to its unique isotopic properties. This compound is a derivative of ethyl acetate, where one or more of the carbon atoms are replaced with the stable isotope 13C. The presence of 13C provides enhanced detectability and traceability, making it invaluable in fields such as metabolomics, pharmacokinetics, and environmental analysis.

The chemical structure of Ethyl Acetate-13C is identical to that of its unlabeled counterpart, ethyl acetate (CH3COOCH2CH3). However, the substitution of 13C for 12C results in a slight increase in molecular weight and a distinct nuclear magnetic resonance (NMR) signal. These properties make Ethyl Acetate-13C an ideal candidate for use in NMR spectroscopy and mass spectrometry (MS) studies.

In metabolomics, Ethyl Acetate-13C is employed as an internal standard to ensure the accuracy and precision of metabolite quantification. The stable isotope labeling allows researchers to distinguish between endogenous and exogenous metabolites, providing a clearer understanding of metabolic pathways. Recent studies have utilized Ethyl Acetate-13C to investigate the metabolism of fatty acids and their derivatives in various biological systems, including human cells and animal models.

In the field of pharmacokinetics, Ethyl Acetate-13C is used to trace the absorption, distribution, metabolism, and excretion (ADME) of drugs. By incorporating 13C-labeled ethyl acetate into drug formulations, researchers can monitor the fate of the drug in vivo with high sensitivity and specificity. This approach has been particularly useful in optimizing drug dosing regimens and assessing drug-drug interactions.

Ethyl Acetate-13C also finds applications in environmental analysis. It can be used as a tracer to study the fate and transport of organic pollutants in environmental matrices such as soil, water, and air. The stable isotope labeling allows for the differentiation between natural and anthropogenic sources of pollutants, providing valuable insights into environmental contamination and remediation strategies.

The synthesis of Ethyl Acetate-13C typically involves the reaction of acetic acid or acetyl chloride with ethanol enriched with 13C-labeled acetic acid or ethanol. The resulting product is then purified using techniques such as distillation or chromatography to ensure high purity and isotopic enrichment. Recent advancements in synthetic methods have led to more efficient and cost-effective production processes, making Ethyl Acetate-13C more accessible for research and industrial applications.

In addition to its analytical applications, Ethyl Acetate-13C has potential uses in chemical synthesis. The labeled compound can serve as a starting material or reagent in synthetic routes where isotopic labeling is desired. For example, it can be used to synthesize labeled derivatives for use in pharmaceutical development or as tracers in biochemical assays.

The safety profile of Ethyl Acetate-13C is similar to that of its unlabeled counterpart. It is generally considered safe for laboratory use when proper handling and storage protocols are followed. However, it is important to note that like any chemical compound, it should be handled with care to avoid inhalation, ingestion, or skin contact.

In conclusion, Ethyl Acetate-13C (CAS No. 58735-82-3) is a versatile labeled compound with a wide range of applications in scientific research and industrial processes. Its unique isotopic properties make it an essential tool for metabolomics, pharmacokinetics, environmental analysis, and chemical synthesis. Ongoing research continues to expand its utility, highlighting its importance in advancing our understanding of complex biological systems and environmental processes.

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