CAS 898757-33-0
:Ethyl 4-hexyl-ζ-oxobenzeneheptanoate
Description:
Ethyl 4-hexyl-ζ-oxobenzeneheptanoate, identified by its CAS number 898757-33-0, is an organic compound that belongs to the class of esters. It is characterized by the presence of an ethyl group, a hexyl chain, and a benzene ring with a keto functional group, which contributes to its unique chemical properties. This compound typically exhibits moderate to low solubility in water, while being more soluble in organic solvents, reflecting its hydrophobic nature due to the long hydrocarbon chains. The presence of the ester functional group suggests that it may participate in reactions typical of esters, such as hydrolysis or transesterification. Ethyl 4-hexyl-ζ-oxobenzeneheptanoate may have applications in various fields, including pharmaceuticals, agrochemicals, or as a flavoring agent, depending on its specific properties and reactivity. Its molecular structure may also influence its physical properties, such as boiling point and melting point, which are important for its practical applications. Further studies would be necessary to fully elucidate its behavior and potential uses in different chemical contexts.
Formula:C21H32O3
InChI:InChI=1S/C21H32O3/c1-3-5-6-8-11-18-14-16-19(17-15-18)20(22)12-9-7-10-13-21(23)24-4-2/h14-17H,3-13H2,1-2H3
InChI key:InChIKey=GRSROGKHXKYKOY-UHFFFAOYSA-N
SMILES:C(CCCCCC(OCC)=O)(=O)C1=CC=C(CCCCCC)C=C1
Synonyms:- Ethyl 4-hexyl-ζ-oxobenzeneheptanoate
- Benzeneheptanoic acid, 4-hexyl-ζ-oxo-, ethyl ester
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