CAS 898764-59-5

1-(3,5-Dimethylphenyl)-3,3-dimethyl-1-butanone

Description:

1-(3,5-Dimethylphenyl)-3,3-dimethyl-1-butanone, identified by its CAS number 898764-59-5, is an organic compound characterized by its ketone functional group. This substance features a butanone backbone with a phenyl group substituted at one end, specifically a 3,5-dimethylphenyl group, which contributes to its aromatic properties. The presence of multiple methyl groups enhances its hydrophobic characteristics and can influence its volatility and solubility in organic solvents. Typically, compounds like this may exhibit a pleasant, sweet odor, making them of interest in flavor and fragrance applications. Additionally, the structural complexity may impart unique reactivity patterns, making it relevant in synthetic organic chemistry. Its physical properties, such as boiling point and melting point, would depend on the molecular interactions and steric hindrance introduced by the substituents. As with many organic compounds, safety data should be consulted to understand its handling, storage, and potential hazards.

Formula: C₁₄H₂₀O

InChI: InChI=1S/C14H20O/c1-10-6-11(2)8-12(7-10)13(15)9-14(3,4)5/h6-8H,9H2,1-5H3

InChI key: InChIKey=FYGUXSPFJIVKSF-UHFFFAOYSA-N

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

Synonyms:

• 1-Butanone, 1-(3,5-dimethylphenyl)-3,3-dimethyl-
• 1-(3,5-Dimethylphenyl)-3,3-dimethyl-1-butanone