CAS 10031-93-3

Ethyl 4-phenylbutanoate

Description:

Ethyl 4-phenylbutanoate, with the CAS number 10031-93-3, is an organic compound classified as an ester. It is formed from the reaction of ethyl alcohol and 4-phenylbutanoic acid. This compound typically appears as a colorless to pale yellow liquid with a pleasant fruity odor, making it of interest in the flavor and fragrance industries. Ethyl 4-phenylbutanoate is characterized by its moderate solubility in organic solvents and limited solubility in water, which is common for many esters. Its molecular structure features a butanoate backbone with a phenyl group, contributing to its aromatic properties. The compound is often utilized in synthetic organic chemistry and may serve as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. Additionally, it may exhibit biological activity, although specific studies on its pharmacological effects may be limited. As with many chemical substances, proper handling and safety precautions are essential due to potential irritant properties.

Formula: C₁₂H₁₆O₂

InChI: InChI=1S/C12H16O2/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3

InChI key: InChIKey=GGFNXKFGVQQNRV-UHFFFAOYSA-N

SMILES: C(CCC(OCC)=O)C1=CC=CC=C1

Synonyms:

• Benzenebutanoic acid, ethyl ester
• Butyric acid, 4-phenyl-, ethyl ester
• Ethyl 4-Phenylbutanoate
• NSC 163318
• Ethyl 4-phenylbutyrate

Benzenebutanoic acid, ethyl ester

CAS: 10031-93-3

Formula: C₁₂H₁₆O₂

Purity: 98%

Color and Shape: Liquid

Molecular weight: 192.2542

Ref: IN-DA0001KU

Ethyl 4-phenylbutanoate

CAS: 10031-93-3

Ethyl 4-phenylbutanoate

Purity: 98%

Molecular weight: 192.26g/mol

Ref: 54-OR79428

Ethyl 4-Phenylbutyrate

CAS: 10031-93-3

Formula: C₁₂H₁₆O₂

Purity: >98.0%(GC)

Color and Shape: Colorless to Almost colorless clear liquid

Molecular weight: 192.26

Ref: 3B-E1027

Ethyl 4-phenylbutanoate

CAS: 10031-93-3

Formula: C₁₂H₁₆O₂

Purity: 98%

Color and Shape: Liquid

Molecular weight: 192.258

Ref: 10-F240679

Benzenebutanoic Acid Ethyl Ester

Controlled Product

CAS: 10031-93-3

Applications Benzenebutanoic Acid Ethyl Ester is used in the synthesis of thiazolium salts with potent antimalarial activity. Also used in the preparation of novel lactate dehydrogenase A inhibitors. This compound is suitable for lactate dehydrogenase (LDH) related research.
References Hamze, A. et al.: J. Med. Chem., 48, 3639 (2005); Ward, R. et al.: J. Med. Chem., 55, 3285 (2012);

Formula: C₁₂H₁₆O₂

Color and Shape: Neat

Molecular weight: 192.25

Ref: TR-B185290