CAS 898751-50-3
:Ethyl 3-methyl-ε-oxobenzenehexanoate
Description:
Ethyl 3-methyl-ε-oxobenzenehexanoate, with the CAS number 898751-50-3, 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 hexanoate chain, indicating it has a six-carbon backbone, and a phenyl group with a methyl substituent, contributing to its aromatic properties. The presence of the ε-oxobenzene moiety suggests that it contains a ketone functional group adjacent to the aromatic ring, which can influence its reactivity and stability. Ethyl esters typically exhibit moderate volatility and solubility in organic solvents, making them useful in various applications, including as flavoring agents, fragrances, or intermediates in organic synthesis. The specific structural features of Ethyl 3-methyl-ε-oxobenzenehexanoate may also impart unique physical and chemical properties, such as boiling point, melting point, and reactivity, which can be further explored through experimental data or computational modeling.
Formula:C15H20O3
InChI:InChI=1S/C15H20O3/c1-3-18-15(17)10-5-4-9-14(16)13-8-6-7-12(2)11-13/h6-8,11H,3-5,9-10H2,1-2H3
InChI key:InChIKey=DMSULIMIYRAASY-UHFFFAOYSA-N
SMILES:C(CCCCC(OCC)=O)(=O)C1=CC(C)=CC=C1
Synonyms:- Benzenehexanoic acid, 3-methyl-ε-oxo-, ethyl ester
- Ethyl 3-methyl-ε-oxobenzenehexanoate
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