CAS 898778-26-2
:Ethyl 4-ethyl-ε-oxobenzenehexanoate
Description:
Ethyl 4-ethyl-ε-oxobenzenehexanoate, identified by its CAS number 898778-26-2, is an organic compound that belongs to the class of esters. This substance features a benzene ring substituted with an ethyl group and is linked to a hexanoate chain, which contributes to its unique properties. The presence of the ε-oxobenzene moiety indicates that it contains a ketone functional group adjacent to the aromatic system, enhancing its reactivity and potential applications in organic synthesis. Ethyl esters, in general, are known for their pleasant fruity odors and are often used in flavoring and fragrance industries. The compound's molecular structure suggests it may exhibit moderate solubility in organic solvents while being less soluble in water due to its hydrophobic hexanoate chain. Additionally, the presence of multiple functional groups may allow for various chemical reactions, making it a candidate for further derivatization in synthetic chemistry. Safety data and handling precautions should be consulted, as with any chemical substance, to ensure proper usage and risk management.
Formula:C16H22O3
InChI:InChI=1S/C16H22O3/c1-3-13-9-11-14(12-10-13)15(17)7-5-6-8-16(18)19-4-2/h9-12H,3-8H2,1-2H3
InChI key:InChIKey=BYNSXOPQFGNUNB-UHFFFAOYSA-N
SMILES:C(CCCCC(OCC)=O)(=O)C1=CC=C(CC)C=C1
Synonyms:- Ethyl 4-ethyl-ε-oxobenzenehexanoate
- Benzenehexanoic acid, 4-ethyl-ε-oxo-, ethyl ester
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