CAS 84489-34-9

2-[(hexan-3-yloxy)carbonyl]benzoic acid

Description:

2-[(Hexan-3-yloxy)carbonyl]benzoic acid, with the CAS number 84489-34-9, is an organic compound characterized by its benzoic acid structure modified with a hexan-3-yloxycarbonyl group. This compound features a carboxylic acid functional group (-COOH) attached to a benzene ring, which contributes to its acidity and potential for hydrogen bonding. The hexan-3-yloxy group introduces a hydrophobic alkyl chain, enhancing the compound's lipophilicity and potentially influencing its solubility in organic solvents. The presence of the ether linkage (–O–) in the hexan-3-yloxy group can also affect the compound's reactivity and interaction with other molecules. This compound may exhibit biological activity, making it of interest in pharmaceutical and chemical research. Its structural features suggest potential applications in drug design, particularly in the development of compounds with specific pharmacological properties. As with many organic compounds, its stability, reactivity, and interactions will depend on environmental conditions such as pH, temperature, and the presence of other chemical species.

Formula: C₁₄H₁₈O₄

InChI: InChI=1/C14H18O4/c1-3-7-10(4-2)18-14(17)12-9-6-5-8-11(12)13(15)16/h5-6,8-10H,3-4,7H2,1-2H3,(H,15,16)

SMILES: CCCC(CC)OC(=O)c1ccccc1C(=O)O

Synonyms:

• 1,2-Benzenedicarboxylic acid, mono(1-ethylbutyl) ester

mono(1-Ethylbutyl) Phthalate

Controlled Product

CAS: 84489-34-9

Formula: C₁₄H₁₈O₄

Color and Shape: Neat

Molecular weight: 250.29

Ref: TR-E900645

mono(1-Ethylbutyl) Phthalate-d4

Controlled Product

CAS: 84489-34-9

Formula: C₁₄D₄H₁₄O₄

Color and Shape: Neat

Molecular weight: 254.315

Ref: TR-E900647