CAS 898757-89-6

Ethyl 4-(hexyloxy)-δ-oxobenzenepentanoate

Description:

Ethyl 4-(hexyloxy)-δ-oxobenzenepentanoate, identified by its CAS number 898757-89-6, is an organic compound characterized by its ester functional group, which is typical of many organic compounds used in various applications, including pharmaceuticals and agrochemicals. The structure features a benzene ring substituted with a hexyloxy group and a δ-oxobenzenepentanoate moiety, indicating the presence of both carbonyl and ether functionalities. This compound is likely to exhibit moderate to high lipophilicity due to the long hydrocarbon chain from the hexyloxy group, which can influence its solubility and interaction with biological membranes. Additionally, the presence of the ester group suggests potential reactivity in hydrolysis reactions, making it relevant in synthetic organic chemistry. Its unique structure may also impart specific biological activities, although detailed studies would be required to elucidate its properties and potential applications fully. As with many organic compounds, safety data and handling precautions should be considered when working with this substance.

Formula: C₁₉H₂₈O₄

InChI: InChI=1/C19H28O4/c1-3-5-6-7-15-23-17-13-11-16(12-14-17)18(20)9-8-10-19(21)22-4-2/h11-14H,3-10,15H2,1-2H3

InChI key: InChIKey=DOZSFMBIYQQWBJ-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 4-(hexyloxy)-δ-oxobenzenepentanoate
• Benzenepentanoic acid, 4-(hexyloxy)-δ-oxo-, ethyl ester
• ETHYL 5-(4-HEXYLOXYPHENYL)-5-OXOVALERATE