CAS 898765-02-1

2,2-Dimethyl-1-(3-methylphenyl)-1-butanone

Description:

2,2-Dimethyl-1-(3-methylphenyl)-1-butanone, identified by its CAS number 898765-02-1, is an organic compound belonging to the class of ketones. This substance features a branched alkyl chain and an aromatic ring, contributing to its unique structural characteristics. It typically appears as a colorless to pale yellow liquid with a distinctive odor, which may be reminiscent of certain floral or fruity notes, making it potentially useful in flavor and fragrance applications. The compound is expected to be relatively stable under standard conditions but may undergo reactions typical of ketones, such as oxidation or reduction. Its solubility in organic solvents is likely high, while solubility in water is expected to be low due to its hydrophobic nature. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance, to ensure proper precautions are taken. Overall, 2,2-Dimethyl-1-(3-methylphenyl)-1-butanone is of interest in various chemical and industrial applications due to its structural properties.

Formula: C₁₃H₁₈O

InChI: InChI=1S/C13H18O/c1-5-13(3,4)12(14)11-8-6-7-10(2)9-11/h6-9H,5H2,1-4H3

InChI key: InChIKey=BADFBYVDQVSVMG-UHFFFAOYSA-N

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

Synonyms:

• 2,2-Dimethyl-1-(3-methylphenyl)-1-butanone
• 1-Butanone, 2,2-dimethyl-1-(3-methylphenyl)-