Ethyl 2-oxopropanoate

Basic Information

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CAS Number

617-35-6

Molecular Formula

C5H8O3

Molecular Weight

116.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

-58°C

Boiling Point

144 °C

Density

1.045 g/mL at 25 °C

Water Solubility

Miscible with water, ethanol and ether.

Solubility

10g/l

Refractive Index

n20/D 1.404(lit.)

SMILES

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CCOC(=O)C(=O)C

InChI

InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3

InChIKey

XXRCUYVCPSWGCC-UHFFFAOYSA-N

LogP

0.13849999999999996

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

106

Safety Information

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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3 Class 3

Synonyms & References

English

Ethyl pyruvate
Ethyl 2-oxopropionate
Pyruvic acid ethyl ester
Brenztraubensaeure-ethylester
2-Oxo-propionic acid ethyl ester
ethyl 2-oxopropanoate
Pyruvic Acid-13C Eth
Pyruvic acid, ethyl ester
Propanoic acid, 2-oxo-, ethyl ester
Ethyl pyroracemate
Ethyl acetylformate
Ethyl alpha-ketopropionate
Ethyl pyruvate (natural)
FEMA No. 2457
Ethyl pyruvate, 98%
C5H8O3
2-oxopropanoic acid ethyl ester
XXRCUYVCPSWGCC-UHFFFAOYSA-N
Pyruvic acid, ethyl ester (8CI)
03O9
Pyruvic Acid Ethyl Ester

MDL Number

MFCD00009123

Customs Code

29183000

FAQ

What is Ethyl 2-oxopropanoate (CAS: 617-35-6)?

Ethyl 2-oxopropanoate, also known as ethyl acetoacetate, is a colorless liquid ester with the chemical formula C5H8O3. It is characterized by its characteristic aromatic odor, solubility in organic solvents, and stability under normal conditions. Commonly used in organic synthesis, it serves as a versatile intermediate in chemical reactions due to its reactive ketone group and ester functionality.

What are the main uses of Ethyl 2-oxopropanoate (CAS: 617-35-6)?

Ethyl 2-oxopropanoate (CAS: 617-35-6) is primarily used in pharmaceuticals for synthesizing active pharmaceutical ingredients, in the food industry as a flavor enhancer, and in research for producing derivatives like pharmaceuticals or perfumes. It also finds applications in industrial chemical manufacturing and as a solvent in various processes.

Is Ethyl 2-oxopropanoate (CAS: 617-35-6) safe?

Ethyl 2-oxopropanoate (CAS: 617-35-6) is generally considered low toxicity but requires careful handling. It may cause skin or eye irritation and is flammable. Safety measures include wearing gloves, goggles, and avoiding inhalation. It is not classified as hazardous under standard regulations but should be stored and used according to OSHA and EPA guidelines for chemical safety.

How should Ethyl 2-oxopropanoate (CAS: 617-35-6) be stored?

Ethyl 2-oxopropanoate (CAS: 617-35-6) should be stored in a cool, dry place at 2-8°C, away from light and moisture. Use airtight, corrosion-resistant containers to prevent exposure to air. Ensure proper ventilation and avoid contact with incompatible materials to maintain chemical stability and prolong shelf life.