CAS 845781-36-4

3-methyl-5-(3-methylphenyl)-5-oxopentanoic acid

Description:

3-Methyl-5-(3-methylphenyl)-5-oxopentanoic acid, identified by its CAS number 845781-36-4, is an organic compound characterized by its complex structure, which includes a pentanoic acid backbone with both methyl and phenyl substituents. This compound features a ketone functional group (the oxo group) at the 5-position, contributing to its reactivity and potential applications in organic synthesis. The presence of the methyl group and the 3-methylphenyl group enhances its hydrophobic characteristics, which may influence its solubility in various solvents. The compound is likely to exhibit acidic properties due to the carboxylic acid functional group, allowing it to participate in acid-base reactions. Its structural features suggest potential utility in pharmaceuticals or as an intermediate in chemical synthesis. However, specific physical properties such as melting point, boiling point, and solubility would require empirical measurement or literature reference for precise values. Overall, 3-methyl-5-(3-methylphenyl)-5-oxopentanoic acid represents a versatile compound within organic chemistry.

Formula: C₁₃H₁₆O₃

InChI: InChI=1/C13H16O3/c1-9-4-3-5-11(6-9)12(14)7-10(2)8-13(15)16/h3-6,10H,7-8H2,1-2H3,(H,15,16)

InChI key: InChIKey=PKXDEXNTZYEKAT-UHFFFAOYSA-N

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

Synonyms:

• Benzenepentanoic acid, beta,3-dimethyl-delta-oxo-
• Benzenepentanoic acid, β,3-dimethyl-δ-oxo-
• β,3-Dimethyl-δ-oxobenzenepentanoic acid
• 3-Methyl-5-(3-methylphenyl)-5-oxopentanoic acid
• 5-(3-METHYLPHENYL)-3-METHYL-5-OXOVALERIC ACID
• 3-METHYL-5-(3-METHYLPHENYL)-5-OXOVALERIC ACID