CAS 898785-47-2

3,3-dimethyl-1-(o-tolyl)butan-1-one

Description:

3,3-Dimethyl-1-(o-tolyl)butan-1-one, with the CAS number 898785-47-2, is an organic compound that belongs to the class of ketones. It features a butanone backbone with two methyl groups attached to the third carbon and an o-tolyl group (a methyl-substituted phenyl group) at the first carbon. This structure contributes to its unique physical and chemical properties. Typically, ketones exhibit moderate polarity due to the presence of the carbonyl group, which influences their solubility in various solvents. The presence of bulky groups like the dimethyl and o-tolyl substituents can affect the compound's reactivity and steric hindrance. In terms of applications, compounds of this nature may be utilized in organic synthesis, fragrance formulations, or as intermediates in the production of other chemical substances. Safety data should be consulted for handling, as ketones can have varying degrees of toxicity and flammability. Overall, 3,3-dimethyl-1-(o-tolyl)butan-1-one is a notable compound within the realm of organic chemistry.

Formula: C₁₃H₁₈O

InChI: InChI=1/C13H18O/c1-10-7-5-6-8-11(10)12(14)9-13(2,3)4/h5-8H,9H2,1-4H3

SMILES: Cc1ccccc1C(=O)CC(C)(C)C

Synonyms:

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