CAS 773873-61-3

2-Ethoxy-5-(1-methylethyl)benzoic acid

Description:

2-Ethoxy-5-(1-methylethyl)benzoic acid, identified by its CAS number 773873-61-3, is an organic compound that belongs to the class of benzoic acids. This substance features a benzoic acid core with an ethoxy group and an isopropyl substituent at specific positions on the aromatic ring. The presence of the ethoxy group contributes to its solubility in organic solvents, while the carboxylic acid functional group imparts acidic properties. This compound is likely to exhibit moderate to high lipophilicity due to its hydrophobic isopropyl group, which can influence its behavior in biological systems and its potential applications in pharmaceuticals or agrochemicals. Additionally, the structural characteristics suggest that it may participate in hydrogen bonding due to the carboxylic acid group, affecting its reactivity and interactions with other molecules. Overall, 2-Ethoxy-5-(1-methylethyl)benzoic acid is a versatile compound with potential utility in various chemical applications, although specific properties such as melting point, boiling point, and reactivity would require empirical data for precise characterization.

Formula: C₁₂H₁₆O₃

InChI: InChI=1S/C12H16O3/c1-4-15-11-6-5-9(8(2)3)7-10(11)12(13)14/h5-8H,4H2,1-3H3,(H,13,14)

InChI key: InChIKey=PEPZKJNLBDZDSF-UHFFFAOYSA-N

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

Synonyms:

• 2-Ethoxy-5-(1-methylethyl)benzoic acid
• Benzoic acid, 2-ethoxy-5-(1-methylethyl)-