CAS 898765-80-5

2,2-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1-butanone

Description:

2,2-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1-butanone is an organic compound characterized by its unique structure, which includes a ketone functional group and a trifluoromethyl-substituted phenyl ring. This compound typically appears as a colorless to pale yellow liquid and has a distinct odor. It is known for its relatively low volatility and moderate solubility in organic solvents, while being less soluble in water due to its hydrophobic characteristics. The presence of the trifluoromethyl group enhances its lipophilicity and can influence its reactivity and interaction with biological systems. This compound may be utilized in various applications, including as an intermediate in organic synthesis or in the development of pharmaceuticals and agrochemicals. Safety data indicates that it should be handled with care, as it may pose health risks upon exposure. Proper storage conditions and protective measures are recommended to ensure safe handling.

Formula: C₁₃H₁₅F₃O

InChI: InChI=1S/C13H15F3O/c1-4-12(2,3)11(17)9-6-5-7-10(8-9)13(14,15)16/h5-8H,4H2,1-3H3

InChI key: InChIKey=YBIVHTILZQHMCA-UHFFFAOYSA-N

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

Synonyms:

• 1-Butanone, 2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]-
• 2,2-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1-butanone