CAS 898793-09-4
:ethyl 6-(3,4-dimethylphenyl)-6-oxo-hexanoate
Description:
Ethyl 6-(3,4-dimethylphenyl)-6-oxo-hexanoate is an organic compound characterized by its ester functional group, which is derived from the reaction of a carboxylic acid and an alcohol. This compound features a hexanoate backbone, indicating a six-carbon chain, with a ketone group (6-oxo) and a phenyl substituent that is further substituted with two methyl groups at the 3 and 4 positions. The presence of the ethyl group suggests that it is an ethyl ester, which typically enhances its volatility and solubility in organic solvents. The molecular structure contributes to its potential applications in organic synthesis and as an intermediate in the production of pharmaceuticals or agrochemicals. Additionally, the presence of the aromatic ring may impart specific chemical reactivity and stability characteristics. As with many organic compounds, its physical properties such as boiling point, melting point, and solubility would depend on the molecular interactions and the overall structure. Safety data and handling precautions should be consulted due to potential hazards associated with chemical substances.
Formula:C16H22O3
InChI:InChI=1S/C16H22O3/c1-4-19-16(18)8-6-5-7-15(17)14-10-9-12(2)13(3)11-14/h9-11H,4-8H2,1-3H3
InChI key:InChIKey=PDGPQEGQFXROHL-UHFFFAOYSA-N
SMILES:CCOC(=O)CCCCC(=O)c1ccc(C)c(C)c1
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