CAS 898778-32-0
:Ethyl 4-ethyl-η-oxobenzeneoctanoate
Description:
Ethyl 4-ethyl-η-oxobenzeneoctanoate, identified by its CAS number 898778-32-0, is a chemical compound that belongs to the class of esters. Esters are typically characterized by their pleasant fragrances and are commonly found in natural sources as well as synthetic applications. This particular compound features a benzene ring substituted with an ethyl group and an octanoate moiety, which contributes to its unique properties. The presence of the oxo group indicates a carbonyl functionality, which can influence the compound's reactivity and interactions with other molecules. Ethyl esters like this one are often used in the synthesis of various organic compounds and may have applications in flavors, fragrances, or as intermediates in chemical synthesis. The molecular structure suggests that it may exhibit moderate solubility in organic solvents, while its physical properties, such as boiling point and melting point, would depend on the specific arrangement of atoms and functional groups. Overall, this compound exemplifies the diverse nature of organic chemistry and the functional versatility of esters.
Formula:C18H26O3
InChI:InChI=1S/C18H26O3/c1-3-15-11-13-16(14-12-15)17(19)9-7-5-6-8-10-18(20)21-4-2/h11-14H,3-10H2,1-2H3
InChI key:InChIKey=GLJQDLOUBWZMFD-UHFFFAOYSA-N
SMILES:C(CCCCCCC(OCC)=O)(=O)C1=CC=C(CC)C=C1
Synonyms:- Benzeneoctanoic acid, 4-ethyl-η-oxo-, ethyl ester
- Ethyl 4-ethyl-η-oxobenzeneoctanoate
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