Methyl 2-methoxy-3-oxobutanoate

Basic Information

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CAS Number

81114-96-7

Molecular Formula

C6H10O4

Molecular Weight

146.14 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

SMILES

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CC(=O)C(C(=O)OC)OC

InChI

InChI=1S/C6H10O4/c1-4(7)5(9-2)6(8)10-3/h5H,1-3H3

InChIKey

FIUDIMKYHJYCKY-UHFFFAOYSA-N

LogP

-0.23660000000000014

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

141

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

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

Methyl 2-methoxy-3-oxobutanoate
I11234
DB-230705
AMY19448
AKOS016001877
SCHEMBL2727651
A864603
81114-96-7
EN300-116445
DS-3597
MFCD23135766
DTXSID20508336
Methyl2-methoxy-3-oxobutanoate

MDL Number

MFCD23135766

FAQ

What is Methyl 2-methoxy-3-oxobutanoate (CAS: 81114-96-7)?

Methyl 2-methoxy-3-oxobutanoate (CAS: 81114-96-7) is an organic compound with the molecular formula C5H8O3. It is a colorless to light yellow liquid with a distinct odor. This compound is characterized by its pungent, fruity aroma and is used in various applications such as flavoring agents and fragrance compounds.

What are the main uses of Methyl 2-methoxy-3-oxobutanoate (CAS: 81114-96-7)?

Methyl 2-methoxy-3-oxobutanoate (CAS: 81114-96-7) is widely used as a flavoring agent in the food and beverage industry. It is also employed in the fragrance and perfume industries to enhance the scent of products. Additionally, it finds applications in the pharmaceutical sector for its potential in drug development.

Is Methyl 2-methoxy-3-oxobutanoate (CAS: 81114-96-7) safe?

Methyl 2-methoxy-3-oxobutanoate (CAS: 81114-96-7) is generally considered safe for use in food, according to regulations in many countries. However, it is important to follow safety guidelines, including wearing protective gloves and eyewear during handling. Inhalation of vapors should be avoided, and it should be stored in a well-ventilated area.

How should Methyl 2-methoxy-3-oxobutanoate (CAS: 81114-96-7) be stored?

Methyl 2-methoxy-3-oxobutanoate (CAS: 81114-96-7) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a sealed container to prevent evaporation and contamination. The storage temperature should not exceed 25°C, and the container should be tightly closed to maintain purity.