Ethyl 2-benzyl-3-oxobutanoate

Basic Information

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CAS Number

620-79-1

Molecular Formula

C13H16O3

Molecular Weight

220.27 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

284°C

Density

1.036 g/mL at 25 °C

Solubility

Difficult in mix.

Refractive Index

n20/D 1.5(lit.)

SMILES

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CCOC(=O)C(Cc1ccccc1)C(=O)C

InChI

InChI=1S/C13H16O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3

InChIKey

XDWQYMXQMNUWID-UHFFFAOYSA-N

LogP

1.9974

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

242

Synonyms & References

English

Ethyl 2-benzylacetoacetate
2-Benzylacetoacetic acid ethyl ester
2-Benzylacetoacetate
ethyl 2-benzyl-3-oxobutanoate
Ethyl-2-benzylacetoacetate
2-Acetyl-3-phenylpropionic Acid Ethyl Ester
Ethyl 2-Acetyl-3-phenylpropionate
Ethyl 2-acetyl-3-phenylpropanoate
Ethyl benzyl acetoacetate
Ethyl alpha-benzylacetoacetate
Ethyl .alpha.-benzylacetoacetate
Ethyl 3-oxo-2-benzylbutanoate
Ethyl alpha-acetylhydrocinnamate
Ethyl benzylacetoacetate
Hydrocinnamic acid, alpha-acetyl-, ethyl ester
XDWQYMXQMNUWID-UHFFFAOYSA-N
Ethyl .alpha.-acet
2-Benzylacetoacetic Acid Ethyl Ester

MDL Number

MFCD00009156

Customs Code

2918300090

FAQ

What is Ethyl 2-benzyl-3-oxobutanoate (CAS: 620-79-1)?

Ethyl 2-benzyl-3-oxobutanoate (CAS: 620-79-1) is an organic compound with a molecular formula of C11H12O3. It has a distinctive fruity odor and is widely used in the fragrance and flavor industry. This compound is also known for its applications in the pharmaceutical and research sectors.

What are the main uses of Ethyl 2-benzyl-3-oxobutanoate (CAS: 620-79-1)?

Ethyl 2-benzyl-3-oxobutanoate (CAS: 620-79-1) is primarily used as a fragrant and flavoring agent in the perfume and food industry. It is also utilized in the pharmaceutical and research sectors for its aromatic properties and as a precursor in chemical synthesis.

Is Ethyl 2-benzyl-3-oxobutanoate (CAS: 620-79-1) safe?

Ethyl 2-benzyl-3-oxobutanoate (CAS: 620-79-1) is generally considered safe for use in the fragrance and flavor industry when handled properly. However, it is important to follow safety guidelines, including wearing appropriate personal protective equipment and avoiding inhalation or skin contact. Proper ventilation is essential during handling and storage.

How should Ethyl 2-benzyl-3-oxobutanoate (CAS: 620-79-1) be stored?

Ethyl 2-benzyl-3-oxobutanoate (CAS: 620-79-1) should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to store it in a sealed container to prevent degradation and contamination. The optimal temperature range is between 15-25°C, and it should be kept in a well-ventilated area to minimize exposure to air and moisture.