CAS 845790-42-3

3-(1-Methylethoxy)-γ-oxobenzenebutanoic acid

Description:

3-(1-Methylethoxy)-γ-oxobenzenebutanoic acid, identified by its CAS number 845790-42-3, is a chemical compound that features a complex structure characterized by a benzene ring, a butanoic acid moiety, and an ethoxy group. This compound is likely to exhibit properties typical of both aromatic and aliphatic compounds, including potential hydrophobic characteristics due to the benzene ring and polar characteristics from the carboxylic acid functional group. The presence of the methylethoxy group suggests that it may have moderate solubility in organic solvents while being less soluble in water. Its structure indicates potential applications in pharmaceuticals or agrochemicals, where such functional groups can influence biological activity. Additionally, the compound may participate in various chemical reactions, including esterification and acylation, due to the reactive carboxylic acid group. As with many organic compounds, safety and handling precautions should be observed, as the specific toxicity and environmental impact would depend on further studies and assessments.

Formula: C₁₃H₁₆O₄

InChI: InChI=1S/C13H16O4/c1-9(2)17-11-5-3-4-10(8-11)12(14)6-7-13(15)16/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)

InChI key: InChIKey=SEQQFJKVUMGWRM-UHFFFAOYSA-N

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

Synonyms:

• Benzenebutanoic acid, 3-(1-methylethoxy)-γ-oxo-
• 3-(1-Methylethoxy)-γ-oxobenzenebutanoic acid