Ethyl 2-methyl-3-oxobutanoate

Basic Information

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CAS Number

609-14-3

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

Melting Point

-45 ºC

Boiling Point

185°C

Density

1.019 g/mL at 25 °C

Refractive Index

n20/D 1.418(lit.)

SMILES

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CCOC(=O)C(C)C(=O)C

InChI

InChI=1S/C7H12O3/c1-4-10-7(9)5(2)6(3)8/h5H,4H2,1-3H3

InChIKey

FNENWZWNOPCZGK-UHFFFAOYSA-N

LogP

0.7746000000000001

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

140

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H316 Causes mild skin irritation
Skin corrosion/irritation

H320 Causes eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

EINECS 210-179-9
NCGC00090968-02
2-methyl-3-oxo-butanoic acid ethyl ester
AM20100481
Ethyl 2-methylaceto-acetate
.alpha.-Methylacetoacetic ester
SMR001261797
2-Acetylpropionic Acid Ethyl Ester
CS-W004822
Ethyl alpha-acetylpropionate
Q27284827
AI3-05606
alpha-methylacetoacetic acid ethyl ester
AKOS005138021
Ethyl 2-methylacetoacetate, 90%
F11259
CAS-609-14-3
ETHYL 3-OXO-2-METHYLBUTANOATE
Tox21_201138
609-14-3
NSC-1102
CHEMBL31596
Z586248936
Butanoic acid, 2-methyl-3-oxo-, ethyl ester
Acetoacetic acid, 2-methyl-, ethyl ester
Ethyl 2-methyl-3-oxobutyrate
2-methyl-3-oxobutyric acid ethyl ester
DTXCID0013493
A832951
DTXSID2033493
MLS002177803

MDL Number

MFCD00009164

Customs Code

2918300090

FAQ

What is Ethyl 2-methyl-3-oxobutanoate (CAS: 609-14-3)?

Ethyl 2-methyl-3-oxobutanoate is a chemical compound with the CAS number 609-14-3. It has the molecular formula C6H10O3 and is commonly used as an intermediate in organic synthesis. The compound is a colorless liquid with a faint aroma and exhibits moderate solubility in organic solvents. It is known for its ketone functionality and ester group, which contribute to its reactivity in various chemical reactions.

What are the main uses of Ethyl 2-methyl-3-oxobutanoate (CAS: 609-14-3)?

Ethyl 2-methyl-3-oxobutanoate is primarily used in pharmaceutical research as a building block for drug development. It also serves as an intermediate in the synthesis of flavor and fragrance compounds. In industrial applications, it is used in the production of specialty chemicals and polymers. Its versatile structure makes it valuable in organic chemistry for creating derivatives with specific functional properties.

Is Ethyl 2-methyl-3-oxobutanoate (CAS: 609-14-3) safe?

Ethyl 2-methyl-3-oxobutanoate is generally considered safe when handled properly, but it requires standard safety precautions due to its potential to irritate the skin and eyes. It is important to follow appropriate protective measures, such as wearing gloves and safety goggles, and to work in a well-ventilated area. Safety data sheets (SDS) for this compound outline necessary handling and disposal guidelines to ensure compliance with chemical safety standards.

How should Ethyl 2-methyl-3-oxobutanoate (CAS: 609-14-3) be stored?

Ethyl 2-methyl-3-oxobutanoate should be stored in a cool, dry, and well-ventilated area, away from direct light and heat sources. It is best kept in a sealed, airtight container made of materials compatible with its chemical properties, such as glass or polyethylene. Storage conditions should maintain a temperature below 25°C and humidity levels below 60% to ensure stability and prevent degradation.