CAS 898764-56-2

1-(3,4-Dimethylphenyl)-3,3-dimethyl-1-butanone

Description:

1-(3,4-Dimethylphenyl)-3,3-dimethyl-1-butanone, identified by its CAS number 898764-56-2, 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 3,4-dimethylphenyl group, which contributes to its unique chemical properties. The presence of multiple methyl groups enhances its hydrophobic characteristics, making it less soluble in water but more soluble in organic solvents. This compound is likely to exhibit a relatively low boiling point due to its molecular structure, and it may possess a distinct aromatic odor, typical of many ketones. Additionally, its structure suggests potential applications in the fragrance industry or as an intermediate in organic synthesis. As with many organic compounds, safety precautions should be taken when handling it, as it may pose health risks if inhaled or ingested. Overall, 1-(3,4-Dimethylphenyl)-3,3-dimethyl-1-butanone is a notable compound within the realm of organic chemistry, with specific characteristics that define its behavior and applications.

Formula: C₁₄H₂₀O

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

InChI key: InChIKey=BKZQJKFNFNKKRS-UHFFFAOYSA-N

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

Synonyms:

• 1-(3,4-Dimethylphenyl)-3,3-dimethyl-1-butanone
• 1-Butanone, 1-(3,4-dimethylphenyl)-3,3-dimethyl-