Ethyl 4-methoxy-3-oxobutanoate

Basic Information

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CAS Number

66762-68-3

Molecular Formula

C7H12O4

Molecular Weight

160.17 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

SMILES

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CCOC(=O)CC(=O)COC

InChI

InChI=1S/C7H12O4/c1-3-11-7(9)4-6(8)5-10-2/h3-5H2,1-2H3

InChIKey

CMKOJBYFNYDATH-UHFFFAOYSA-N

LogP

0.15510000000000002

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

141

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Ethyl 4-Methyloxy-3-oxo-butanoate
gamma-methoxyacetoacetic acid ethyl ester
AS-40133
Butanoic acid, 4-methoxy-3-oxo-, ethyl ester
FT-0651422
66762-68-3
CS-W022693
AKOS010952106
ethyl 4-methoxy-3-oxobutanoate
ethyl 4-methoxy-acetoacetate
SCHEMBL126088
ETHYL 4-METHOXY-3-OXO-BUTANOATE
EN300-81790
DTXSID80505528
Ethyl 4-methoxyacetoacetate
Z839817118
SY114322
CMKOJBYFNYDATH-UHFFFAOYSA-N
MFCD07783018
ETHYL4-METHOXY-3-OXO-BUTANOATE
4-Methoxy-3-oxo-butanoic acid ethyl ester
Ethyl 4-methoxy-3-oxobutanoate
Ethyl 4-methoxy-3-oxo-butanoate
ETHYL 4-METHOXYACETOACETATE
4-methoxy-acetoacetic acid ethyl ester
ethyl 4-Methyloxy-3-oxo-butanoate
methyl 4-methoxyacetoacetate
OR4302
0252AC
CE0075
NE44631

MDL Number

MFCD07783018

Customs Code

2918990090

FAQ

What are the physical and chemical properties of Ethyl 4-methoxy-3-oxobutanoate (CAS: 66762-68-3)?

Ethyl 4-methoxy-3-oxobutanoate is a colorless liquid with a molecular weight of approximately 158.19 g/mol. It has a slight fruity odor and a density of about 0.94 g/cm³. It is slightly soluble in water but miscible with most organic solvents. The compound is moderately reactive and can undergo ester hydrolysis and nucleophilic substitution reactions.

How is Ethyl 4-methoxy-3-oxobutanoate (CAS: 66762-68-3) typically synthesized?

Ethyl 4-methoxy-3-oxobutanoate is usually synthesized via a condensation reaction of 4-methoxy-3-oxobutanoic acid with ethanol in the presence of a catalytic amount of acid. The reaction is typically carried out under mild conditions, and the product can be isolated by crystallization or distillation, with good yield and selectivity.

What industries use Ethyl 4-methoxy-3-oxobutanoate (CAS: 66762-68-3)?

Ethyl 4-methoxy-3-oxobutanoate is used in the pharmaceutical industry for the synthesis of certain medications, particularly those requiring specific functional groups. It also finds applications in the polymer industry for modifying the properties of polymer materials. Additionally, it is used in the sensor industry as a component in chemical sensors, and in the semiconductor industry as a precursor in the fabrication of electronic devices.

What precautions should be taken when handling Ethyl 4-methoxy-3-oxobutanoate (CAS: 66762-68-3)?

When handling Ethyl 4-methoxy-3-oxobutanoate, proper personal protective equipment (PPE) should be worn, including gloves, safety goggles, and a lab coat. Work should be carried out in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials and the area should be flushed with water. Safety data sheets (SDS) should be consulted for detailed emergency response procedures and storage recommendations.