CAS 100972-13-2
:ethyl 5-(o-tolyl)-5-oxo-pentanoate
Description:
Ethyl 5-(o-tolyl)-5-oxo-pentanoate, identified by its CAS number 100972-13-2, is an organic compound characterized by its ester functional group and a ketone moiety. This compound features a pentanoate backbone, which is a five-carbon chain, with a ketone located at the fifth carbon. The presence of the o-tolyl group, which is a methyl-substituted phenyl group, contributes to its aromatic characteristics and can influence its reactivity and solubility. Ethyl esters like this one are typically known for their pleasant odors and are often used in flavoring and fragrance applications. The compound may exhibit moderate polarity due to the ester and ketone functionalities, affecting its solubility in various solvents. Additionally, its structure suggests potential applications in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals. As with many organic compounds, safety data should be consulted to understand its handling and potential hazards.
Formula:C14H18O3
InChI:InChI=1/C14H18O3/c1-3-17-14(16)10-6-9-13(15)12-8-5-4-7-11(12)2/h4-5,7-8H,3,6,9-10H2,1-2H3
SMILES:CCOC(=O)CCCC(=O)c1ccccc1C
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