CAS 94291-81-3

1-[3,4-Bis(1-methylethyl)phenyl]ethanone

Description:

1-[3,4-Bis(1-methylethyl)phenyl]ethanone, also known by its CAS number 94291-81-3, is an organic compound characterized by its ketone functional group. This substance features a phenyl ring substituted with two isopropyl groups at the 3 and 4 positions, contributing to its bulky structure and hydrophobic nature. The presence of the ethanone moiety indicates that it has a carbonyl group (C=O) adjacent to an ethyl group, which influences its reactivity and potential applications. Typically, compounds like this may exhibit properties such as moderate volatility and solubility in organic solvents, while being less soluble in water due to their hydrophobic characteristics. The steric hindrance from the isopropyl groups can affect the compound's reactivity, making it less prone to certain types of chemical reactions. This compound may find applications in organic synthesis, materials science, or as an intermediate in the production of other chemical entities. Safety data should be consulted for handling and potential hazards associated with this substance.

Formula: C₁₄H₂₀O

InChI: InChI=1S/C14H20O/c1-9(2)13-7-6-12(11(5)15)8-14(13)10(3)4/h6-10H,1-5H3

InChI key: InChIKey=ZDINBUUATIMDHJ-UHFFFAOYSA-N

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

Synonyms:

• Ethanone, 1-[3,4-bis(1-methylethyl)phenyl]-
• 1-[3,4-Bis(1-methylethyl)phenyl]ethanone
• 1-[3,4-Bis(propan-2-yl)phenyl]ethan-1-one
• Acetophenone, 3′,4′-diisopropyl-