CAS 898751-42-3
:ethyl 8-(o-tolyl)-8-oxo-octanoate
Description:
Ethyl 8-(o-tolyl)-8-oxo-octanoate, identified by its CAS number 898751-42-3, is an organic compound characterized by its ester functional group and a complex structure that includes an octanoate backbone. This compound features a carbon chain of eight carbon atoms, with a ketone group (the 8-oxo designation) and a tolyl group (derived from toluene) attached to the eighth carbon. The presence of the ethyl ester indicates that it is formed from the reaction of octanoic acid and ethanol. Ethyl 8-(o-tolyl)-8-oxo-octanoate is likely to exhibit properties typical of esters, such as volatility and a pleasant, fruity odor, making it potentially useful in flavoring or fragrance applications. Additionally, its unique structure may impart specific reactivity, making it of interest in synthetic organic chemistry. As with many organic compounds, safety data should be consulted to understand its handling and potential hazards.
Formula:C17H24O3
InChI:InChI=1/C17H24O3/c1-3-20-17(19)13-7-5-4-6-12-16(18)15-11-9-8-10-14(15)2/h8-11H,3-7,12-13H2,1-2H3
SMILES:CCOC(=O)CCCCCCC(=O)c1ccccc1C
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