CAS 82975-96-0

2-{[(2-ethyl-6-hydroxyhexyl)oxy]carbonyl}benzoic acid

Description:

2-{[(2-ethyl-6-hydroxyhexyl)oxy]carbonyl}benzoic acid, with the CAS number 82975-96-0, is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety and an ester functional group. This compound features a long hydrocarbon chain, which contributes to its hydrophobic properties, while the hydroxyl group provides potential for hydrogen bonding and increased solubility in polar solvents. The presence of the carboxylic acid group indicates that it can act as an acid, capable of donating protons in solution. Additionally, the ethyl and hydroxy substituents on the hexyl chain suggest that the compound may exhibit unique physical properties, such as altered melting and boiling points compared to simpler benzoic acids. Its structure may also influence its reactivity and interactions with biological systems, making it of interest in various applications, including pharmaceuticals and materials science. Overall, this compound exemplifies the diversity of organic chemistry and the significance of functional groups in determining chemical behavior.

Formula: C₁₆H₂₂O₅

InChI: InChI=1/C16H22O5/c1-2-12(7-5-6-10-17)11-21-16(20)14-9-4-3-8-13(14)15(18)19/h3-4,8-9,12,17H,2,5-7,10-11H2,1H3,(H,18,19)

SMILES: CCC(CCCCO)COC(=O)c1ccccc1C(=O)O