Methyl 4-oxopentanoate

Basic Information

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CAS Number

624-45-3

Molecular Formula

C6H10O3

Molecular Weight

130.14 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

Physical State

Oil

Boiling Point

196°C

Density

1.051 g/mL at 20 °C

Solubility

It is soluble in ethanol, ether, acetone and benzene.

Refractive Index

n20/D 1.422

SMILES

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CC(=O)CCC(=O)OC

InChI

InChI=1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3

InChIKey

UAGJVSRUFNSIHR-UHFFFAOYSA-N

LogP

0.5285999999999998

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

118

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

SCHEMBL134985
3Q95S830W6
J-522613
MFCD00017499
methyl 4-oxo-pentanoate
Methyl levulinate
NS00020857
Q27257899
Methyl 4-oxopentanoate #
AKOS005720780
Pentanoic acid, 4-oxo-, methyl ester
UAGJVSRUFNSIHR-UHFFFAOYSA-
Methyl ester of 4-Oxopentanoic acid
AS-56854
SY048239
METHYL .BETA.-ACETYLPROPIONATE
CHEBI:173521
NSC24874
EN300-78745
InChI=1/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3
Methyl levulate
methyllevulinate
Methyl -acetylpropionate; NSC 24874
FEMA NO. 4478
FT-0632629
624-45-3
L0044
Levulinic acid, methyl ester
4-oxo-pentanoic acid methyl ester
4-Oxovaleric Acid Methyl Ester
H11992

MDL Number

MFCD00017499

Customs Code

2918300090

FAQ

What are the physical and chemical properties of Methyl 4-oxopentanoate (CAS: 624-45-3)?

Methyl 4-oxopentanoate (CAS: 624-45-3) is a colorless to light yellow liquid with a molecular weight of 124.16 g/mol. It has a high solubility in ethanol and acetone but is insoluble in water. This compound is moderately reactive, particularly with bases and reducing agents. It forms crystalline solids at temperatures below -10°C and exhibits good reactivity in esterification and ester hydrolysis reactions.

How is Methyl 4-oxopentanoate (CAS: 624-45-3) typically synthesized?

Methyl 4-oxopentanoate (CAS: 624-45-3) can be synthesized by the amidation of 4-oxopentanoic acid with methyl alcohol in the presence of an organic base like triethylamine. The reaction typically proceeds with high yield and good selectivity. Other methods involve direct esterification of 4-oxopentanoic acid with methanol using an acid catalyst such as sulfuric acid.

What industries use Methyl 4-oxopentanoate (CAS: 624-45-3)?

Methyl 4-oxopentanoate (CAS: 624-45-3) finds applications in the pharmaceutical industry as a precursor in the synthesis of certain drugs and in the polymer industry as a monomer. It is also utilized in the production of sensors and semiconductors, where its chemical properties are leveraged for specific functionalities.

What precautions should be taken when handling Methyl 4-oxopentanoate (CAS: 624-45-3)?

When handling Methyl 4-oxopentanoate (CAS: 624-45-3), it is crucial to wear appropriate personal protective equipment (PPE) including gloves, safety glasses, and a lab coat. Store the compound in a well-ventilated area and use a fume hood during operations. In case of a spill, immediately clean up with the appropriate absorbent material and dispose of it according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.