CAS 5453-94-1

Cyclohexanecarboxylic acid, 1-methyl-2-oxo-, ethyl ester

Description:

Cyclohexanecarboxylic acid, 1-methyl-2-oxo-, ethyl ester, also known by its CAS number 5453-94-1, is an organic compound characterized by its ester functional group derived from cyclohexanecarboxylic acid. This compound features a cyclohexane ring, which contributes to its cyclic structure and influences its physical properties. The presence of the methyl and keto groups enhances its reactivity and solubility in organic solvents. Typically, cyclohexanecarboxylic acid derivatives exhibit moderate boiling points and are generally less dense than water. The esterification process imparts a fruity or sweet odor, making such compounds useful in flavor and fragrance applications. Additionally, the compound may participate in various chemical reactions, including hydrolysis and transesterification, which are common in organic synthesis. Its applications can extend to pharmaceuticals, agrochemicals, and as intermediates in organic synthesis. Safety data should be consulted for handling, as with all chemical substances, to ensure proper precautions are taken.

Formula: C₁₀H₁₆O₃

InChI: InChI=1S/C10H16O3/c1-3-13-9(12)10(2)7-5-4-6-8(10)11/h3-7H2,1-2H3

InChI key: InChIKey=JPZANUHBLDNRJV-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1(C)C(=O)CCCC1

Synonyms:

• 2-Methyl-2-carbethoxycyclohexanone
• 1-Methyl-2-cyclohexanonecarboxylic acid ethyl ester
• NSC 18913
• Ethyl 1-methyl-2-oxocyclohexanecarboxylate
• Cyclohexanecarboxylic acid, 1-methyl-2-oxo-, ethyl ester

ethyl 1-methyl-2-oxo-cyclohexane-1-carboxylate

CAS: 5453-94-1

Formula: C₁₀H₁₆O₃

Purity: 97%

Color and Shape: Liquid

Molecular weight: 184.2322

Ref: IN-DA01HDHS

Ethyl 1-methyl-2-oxocyclohexane-1-carboxylate

CAS: 5453-94-1

Ethyl 1-methyl-2-oxocyclohexane-1-carboxylate

Purity: 96%

Molecular weight: 184.23g/mol

Ref: 54-OR1036249

Ethyl 1-methyl-2-oxocyclohexane-1-carboxylate

CAS: 5453-94-1

Purity: 96%

Molecular weight: 184.2350006

Ref: 10-F640945

Ethyl 1-methyl-2-oxocyclohexane-1-carboxylate

CAS: 5453-94-1

Ethyl 1-methyl-2-oxocyclohexane-1-carboxylate (EMOC) is a synthetic retinoid that was designed to have biological properties similar to those of retinoic acid. EMOC has been shown to inhibit the growth of cancer cells in vitro and in vivo, as well as to induce differentiation in these cells. It inhibits DNA replication by binding to chloride ions, which are essential for the enzymatic activity of DNA polymerase. EMOC also binds to the carbonyl group of diltiazem hydrochloride, a drug used for the treatment of high blood pressure and angina pectoris. The chemical structures of both compounds are similar, with one difference being that EMOC has an additional methyl group on its terminal half-life.

Formula: C₁₀H₁₆O₃

Purity: Min. 95%

Molecular weight: 184.23 g/mol

Ref: 3D-FAA45394