Ethyl 4-oxopentanoate

Basic Information

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CAS Number

539-88-8

Molecular Formula

C7H12O3

Molecular Weight

144.17 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

Basic Physical Properties

Boiling Point

93-94 °C/18 mmHg

Water Solubility

Soluble in water.

Solubility

H2O: freely soluble

Refractive Index

n20/D 1.422(lit.)

SMILES

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CCOC(=O)CCC(=O)C

InChI

InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3

InChIKey

GMEONFUTDYJSNV-UHFFFAOYSA-N

LogP

0.9187

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

129

Safety Information

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Hazard Statement

Synonyms & References

English

Ethyl 4-oxopentanoate
3-ACETYLPROPIONIC ACID ETHYL ESTER
4-KETOVALERIC ACID ETHYL ESTER
4-oxopentanoic acid ethyl ester
4-OXOVALERIC ACID ETHYL ESTER
ethyl 3-acetylpropionate
Ethyl 4-ketovalerate
ETHYL 4-OXOVALERATE
ETHYL ACETYL PROPANOATE
ethyl ethyl 4-oxovalerate
FEMA 2442
LEVULINIC ACID ETHYL ESTER
Levulinic acid ethyl ester 4-oxopentanoate
4-oxo-pentanoicaciethylester
ELA
Ethyl ketovalerate
Ethyl Levulinate
Ethyl laevulinate
Ethyl levulate
Levulinic acid, ethyl ester
Pentanoic acid, 4-oxo-, ethyl ester
Ethyl acetylpropanoate
ethyllevulinate
Ethyl levulinate (natural)
FEMA No. 2442
7BU24CSS2G
4-oxo-pentanoic acid ethyl ester
GMEON

MDL Number

MFCD00009209

Customs Code

29183000

FAQ

What is Ethyl 4-oxopentanoate (CAS: 539-88-8)?

Ethyl 4-oxopentanoate is a chemical compound with the formula C7H14O3. It is a ketone ester characterized by a five-carbon chain with a ketone group at the fourth position and an ethyl ester group at the end. This compound is commonly used in organic synthesis and has applications in various scientific fields due to its reactivity and structural versatility.

What are the main uses of Ethyl 4-oxopentanoate (CAS: 539-88-8)?

Ethyl 4-oxopentanoate is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in the synthesis of fragrances, flavors, and specialty chemicals. In laboratory settings, it serves as an intermediate in the production of other organic compounds and is relevant in biochemical studies involving ester functionality.

Is Ethyl 4-oxopentanoate (CAS: 539-88-8) safe?

Ethyl 4-oxopentanoate is generally considered safe when handled properly, but it should be treated with caution. It is advisable to use protective gloves and ensure adequate ventilation when working with this compound. Safety data sheets (SDS) recommend avoiding ingestion and skin contact, and it is important to follow standard chemical safety protocols to minimize risks.

How should Ethyl 4-oxopentanoate (CAS: 539-88-8) be stored?

Ethyl 4-oxopentanoate should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is typically kept in sealed, airtight containers made of glass or polyethylene to maintain its stability. Storage conditions should be controlled to prevent degradation, and it is recommended to keep it at temperatures below 25°C for optimal preservation.