3424-59-7

Basic information

• Product Name: ETHYL ACETATE (1-13C)
• Synonyms: ETHYL ACETATE (1-13C);ETHYL ACETATE-1-13C, 99 ATOM % 13C
• CAS NO: 3424-59-7
• Molecular Formula: C₄H₈O₂
• Molecular Weight: 89.11
• Product Categories: Alphabetical Listings;E-F;Stable Isotopes
• Mol File: 3424-59-7.mol
• Article Data: 10

Chemical Properties

• Melting Point: -84 °C(lit.)
• Boiling Point: 76-77 °C(lit.)
• Flash Point: 26 °F
• Appearance: /
• Density: 0.902 g/mL at 25 °C
• Vapor Density: 3 (vs air)
• Vapor Pressure: 73 mm Hg ( 20 °C)
• Refractive Index: n20/D 1.372(lit.)
• CAS DataBase Reference: ETHYL ACETATE (1-13C)(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL ACETATE (1-13C)(3424-59-7)
• EPA Substance Registry System: ETHYL ACETATE (1-13C)(3424-59-7)

Safety Data

• Hazard Codes: F,Xi
• Statements: 11-36-66-67
• Safety Statements: 16-26-33
• RIDADR: UN 1173 3/PG 2
• WGK Germany: 3
• Hazardous Substances Data: 3424-59-7(Hazardous Substances Data)

Usage

General Description

ETHYL ACETATE (1-13C) is a chemical compound labeled with carbon-13, a stable and non-radioactive isotope of carbon. It is a colorless liquid with a sweet, fruity odor, commonly used as a solvent in various applications such as in the production of adhesives, inks, and coatings. The 13C labeling allows for use in various techniques for studying chemical reactions and metabolic processes, such as NMR spectroscopy and metabolic flux analysis. It is also used in the synthesis of pharmaceuticals and as a flavoring agent in food products. The labeled form of ethyl acetate is valuable in research and industrial settings for its ability to track the movement and transformation of carbon atoms in compounds.

Upstream product

• 64-67-5 diethyl sulfate 
• 108-05-4 vinyl acetate 
• 64-17-5 ethanol 
• 23424-28-4 sodium acetate 
• 122-52-1 triethyl phosphite 
• 75-03-6 ethyl iodide 

Downstream Products

• 77504-73-5 ethyl acetoacetate-2,4-¹³C₂ 
• 481036-67-3 1,4-dimethyl-[1-13C]cyclohexanol 
• 23424-28-4 sodium acetate 
• 868943-98-0 C₁₁⁽¹³⁾C₂H₂₄O₃ 

Relevant articles and documents

Toward production of pure 13C hyperpolarized metabolites using heterogeneous parahydrogen-induced polarization of ethyl[1-13C]acetate

Here, we report the production of 13C-hyperpolarized ethyl acetate via heterogeneously catalyzed pairwise addition of parahydrogen to vinyl acetate over TiO2-supported rhodium nanoparticles, followed by magnetic field cycling. Importantly, the hyperpolarization is demonstrated even at the natural abundance of 13C isotope (ca. 1.1%) along with the easiest separation of the catalyst from the hyperpolarized liquid.

Efficient Synthesis of Molecular Precursors for Para-Hydrogen-Induced Polarization of Ethyl Acetate-1-13C and beyond

A scalable and versatile methodology for production of vinylated carboxylic compounds with 13C isotopic label in C1 position is described. It allowed synthesis of vinyl acetate-1-13C, which is a precursor for preparation of 13C hyperpolarized ethyl acetate-1-13C, which provides a convenient vehicle for potential in vivo delivery of hyperpolarized acetate to probe metabolism in living organisms. Kinetics of vinyl acetate molecular hydrogenation and polarization transfer from para-hydrogen to 13C via magnetic field cycling were investigated. Nascent proton nuclear spin polarization (%PH) of ca. 3.3 % and carbon-13 polarization (%P13C) of ca. 1.8 % were achieved in ethyl acetate utilizing 50 % para-hydrogen corresponding to ca. 50 % polarization transfer efficiency. The use of nearly 100% para-hydrogen and the improvements of %PH of para-hydrogen-nascent protons may enable production of 13C hyperpolarized contrast agents with %P13C of 20-50 % in seconds using this chemistry.

Structural exploration of rhodium catalysts and their kinetic studies for efficient parahydrogen-induced polarization by side arm hydrogenation

Parahydrogen-induced polarization (PHIP) is a rapid and cost-effective hyperpolarization technique using transition metal-catalysed hydrogenation with parahydrogen. We examined rhodium catalysts and their kinetic studies, rarely considered in the research