CAS 1522-46-9

Butanoic acid, 2-acetyl-3-methyl-, ethyl ester

Description:

Butanoic acid, 2-acetyl-3-methyl-, ethyl ester, also known as ethyl 2-acetyl-3-methylbutanoate, is an organic compound characterized by its fruity aroma, making it a valuable substance in the flavor and fragrance industry. It is an ester formed from butanoic acid and 2-acetyl-3-methyl alcohol. This compound typically appears as a colorless to pale yellow liquid and is soluble in organic solvents while being less soluble in water. Its molecular structure features a butanoic acid backbone with an acetyl and methyl group, contributing to its distinctive scent profile. The compound is often used in food flavoring, perfumery, and as a potential intermediate in organic synthesis. In terms of safety, it is important to handle it with care, as with many esters, due to potential irritant properties. Overall, its unique characteristics make it a compound of interest in various industrial applications.

Formula: C₉H₁₆O₃

InChI: InChI=1S/C9H16O3/c1-5-12-9(11)8(6(2)3)7(4)10/h6,8H,5H2,1-4H3

InChI key: InChIKey=DMIFFKCVURTPTG-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)(C(C)C)C(C)=O

Synonyms:

• 2-Acetyl-3-methylbutyric acid ethyl ester
• 2-Isopropyl-3-oxo-butyric acid ethyl ester
• 2-Isopropyl-3-oxobutanoic acid ethyl ester
• 2-Isopropylacetoacetate
• 216-192-6
• Acetoacetic acid, 2-isopropyl-, ethyl ester
• Acetoacetic acid, 2-isopropyl-, ethyl ester (8CI)
• Butanoic Acid, 2-Acetyl-3-Methyl-, Ethyl Ester
• Ethyl .alpha.-isopropylacetoacetate
• Ethyl 2-acetyl-3-methylbutanoate
• Ethyl 2-isopropylacetoacetate
• Ethyl α-isopropylacetoacetate
• Isovaleric acid, α-acetyl-, Et ester
• NSC 18754
• NSC 25315

Ethyl 2-acetyl-3-methylbutanoate

CAS: 1522-46-9

Formula: C₉H₁₆O₃

Purity: 95%

Color and Shape: Liquid

Molecular weight: 172.2215

Ref: IN-DA003Q4H

Ethyl 2-acetyl-3-methylbutanoate

CAS: 1522-46-9

Ethyl 2-acetyl-3-methylbutanoate

Purity: 98%

Molecular weight: 172.22g/mol

Ref: 54-OR938251

Ethyl 2-acetyl-3-methylbutanoate

CAS: 1522-46-9

Formula: C₉H₁₆O₃

Purity: 98%

Color and Shape: Liquid

Molecular weight: 172.224

Ref: 10-F234296

Ethyl 2-Isopropylacetoacetate

Controlled Product

CAS: 1522-46-9

Applications Ethyl 2-Isopropylacetoacetate is a reactant in the preparation of nonracemic arylhydroxymethylpyrrolidinylmethylphenyl thiazoleacetamides and cyclopentathiazolecarboxamides as conformationally restricted β3-adrenoceptor agonists as a potential treatment for overactive bladder.
References Moyes, C.R., et. al.: J. Med. Chem., 57, 1437 (2014)

Formula: C₉H₁₆O₃

Color and Shape: Neat

Molecular weight: 172.22

Ref: TR-E921580