CAS 1134334-96-5

2-(Acetyloxy)-1-(3,4-dimethylphenyl)ethanone

Description:

2-(Acetyloxy)-1-(3,4-dimethylphenyl)ethanone, with the CAS number 1134334-96-5, is an organic compound characterized by its functional groups and structural features. It contains an acetoxy group (-OCOCH3) and a ketone group (C=O) attached to a phenyl ring that is further substituted with two methyl groups at the 3 and 4 positions. This compound is likely to exhibit moderate polarity due to the presence of the acetoxy and carbonyl functionalities, which can participate in hydrogen bonding. Its molecular structure suggests potential applications in organic synthesis, possibly as an intermediate in the production of pharmaceuticals or agrochemicals. The presence of the dimethylphenyl moiety may also impart specific electronic and steric properties, influencing its reactivity and interactions with other molecules. Additionally, the compound's stability, solubility, and reactivity would depend on the surrounding conditions, such as temperature and solvent environment. Overall, 2-(Acetyloxy)-1-(3,4-dimethylphenyl)ethanone represents a versatile structure in organic chemistry.

Formula: C₁₂H₁₄O₃

InChI: InChI=1S/C12H14O3/c1-8-4-5-11(6-9(8)2)12(14)7-15-10(3)13/h4-6H,7H2,1-3H3

InChI key: InChIKey=BCTORPVQMFXLBK-UHFFFAOYSA-N

SMILES: C(COC(C)=O)(=O)C1=CC(C)=C(C)C=C1

Synonyms:

• [2-(3,4-Dimethylphenyl)-2-oxoethyl] acetate
• 2-(Acetyloxy)-1-(3,4-dimethylphenyl)ethanone
• 2-(3,4-Dimethylphenyl)-2-oxoethyl acetate
• Ethanone, 2-(acetyloxy)-1-(3,4-dimethylphenyl)-