CAS 85204-28-0

3-(1,1-Dimethylethyl)-5-methylbenzenemethanol

Description:

3-(1,1-Dimethylethyl)-5-methylbenzenemethanol, also known by its CAS number 85204-28-0, is an organic compound characterized by its complex structure, which includes a benzene ring substituted with both a tert-butyl group and a methyl group, along with a hydroxymethyl group. This compound is typically a colorless to pale yellow liquid at room temperature and possesses a characteristic aromatic odor. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic nature. The presence of the hydroxymethyl group contributes to its potential as a precursor in various chemical syntheses and applications in the fragrance and flavor industry. Additionally, the tert-butyl and methyl substituents can influence its reactivity and stability, making it of interest in studies related to organic synthesis and material science. Safety data indicates that, like many organic compounds, it should be handled with care, using appropriate safety measures to avoid inhalation or skin contact.

Formula: C₁₂H₁₈O

InChI: InChI=1S/C12H18O/c1-9-5-10(8-13)7-11(6-9)12(2,3)4/h5-7,13H,8H2,1-4H3

InChI key: InChIKey=QOKKZXRTROQJFO-UHFFFAOYSA-N

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

Synonyms:

• 3-(1,1-Dimethylethyl)-5-methylbenzenemethanol
• Benzenemethanol, 3-(1,1-dimethylethyl)-5-methyl-
• 3-tert-Butyl-5-methylbenzylalcohol