CAS 898757-99-8
:Ethyl 4-(heptyloxy)-ε-oxobenzenehexanoate
Description:
Ethyl 4-(heptyloxy)-ε-oxobenzenehexanoate, identified by its CAS number 898757-99-8, is an organic compound characterized by its ester functional group, which is formed from the reaction of an alcohol and a carboxylic acid. This compound features a heptyloxy group, indicating a long hydrophobic alkyl chain that can influence its solubility and physical properties. The presence of the ε-oxobenzene moiety suggests that it may exhibit unique electronic properties due to the conjugation between the aromatic ring and the carbonyl group. Ethyl esters typically have pleasant odors and can be used in flavoring and fragrance applications. Additionally, the structure implies potential applications in materials science or as intermediates in organic synthesis, particularly in the development of surfactants or other functional materials. The specific characteristics, such as melting point, boiling point, and reactivity, would depend on the molecular interactions and the overall structure, which can be influenced by the length of the heptyloxy chain and the arrangement of functional groups.
Formula:C21H32O4
InChI:InChI=1S/C21H32O4/c1-3-5-6-7-10-17-25-19-15-13-18(14-16-19)20(22)11-8-9-12-21(23)24-4-2/h13-16H,3-12,17H2,1-2H3
InChI key:InChIKey=OWRXGHQKMRKSGX-UHFFFAOYSA-N
SMILES:C(CCCCC(OCC)=O)(=O)C1=CC=C(OCCCCCCC)C=C1
Synonyms:- Ethyl 4-(heptyloxy)-ε-oxobenzenehexanoate
- Benzenehexanoic acid, 4-(heptyloxy)-ε-oxo-, ethyl ester
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