CAS 845781-46-6

4-Butyl-β-methyl-δ-oxobenzenepentanoic acid

Description:

4-Butyl-β-methyl-δ-oxobenzenepentanoic acid, identified by its CAS number 845781-46-6, is a chemical compound that belongs to the class of organic acids. It features a complex structure characterized by a pentanoic acid backbone with a butyl group and a β-methyl substituent, along with a δ-oxo functional group. This compound is likely to exhibit properties typical of carboxylic acids, such as acidity and the ability to form hydrogen bonds, which can influence its solubility in polar solvents. The presence of the butyl group may enhance its hydrophobic characteristics, affecting its interaction with biological membranes and its overall bioavailability. Additionally, the oxo group introduces potential reactivity, making it a candidate for various chemical transformations. While specific physical properties such as melting point, boiling point, and solubility are not detailed here, compounds of this nature often find applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis due to their structural complexity and functional versatility.

Formula: C₁₆H₂₂O₃

InChI: InChI=1/C16H22O3/c1-3-4-5-13-6-8-14(9-7-13)15(17)10-12(2)11-16(18)19/h6-9,12H,3-5,10-11H2,1-2H3,(H,18,19)

InChI key: InChIKey=JIJAHSARWNVTJE-UHFFFAOYSA-N

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

Synonyms:

• 4-Butyl-β-methyl-δ-oxobenzenepentanoic acid
• Benzenepentanoic acid, 4-butyl-beta-methyl-delta-oxo-
• Benzenepentanoic acid, 4-butyl-β-methyl-δ-oxo-
• 5-(4-Butylphenyl)-3-methyl-5-oxopentanoic acid