CAS 10411-92-4

cis-4-tert-Butylcyclohexyl acetate

Description:

Cis-4-tert-Butylcyclohexyl acetate is an organic compound characterized by its structure, which includes a cyclohexane ring with a tert-butyl group and an acetate functional group. This compound is typically a colorless to pale yellow liquid with a pleasant, fruity odor, making it useful in fragrance formulations. Its molecular structure contributes to its relatively low volatility and moderate solubility in organic solvents. The presence of the acetate group suggests that it may exhibit some degree of reactivity, particularly in esterification or hydrolysis reactions. Additionally, the cis configuration of the tert-butyl group influences the compound's physical properties, such as boiling point and melting point, compared to its trans isomer. As with many organic compounds, safety precautions should be taken when handling cis-4-tert-Butylcyclohexyl acetate, as it may pose health risks if inhaled or ingested. Overall, this compound is of interest in both industrial applications and research contexts, particularly in the fields of organic chemistry and fragrance chemistry.

Formula: C₁₂H₂₂O₂

InChI: InChI=1/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3/t10-,11+

InChI key: InChIKey=MBZRJSQZCBXRGK-PHIMTYICNA-N

SMILES: C(C)(C)(C)[C@H]1CC[C@@H](OC(C)=O)CC1

Synonyms:

• Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-acetate, cis-
• Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate-, cis-
• Cyclohexanol, 4-tert-butyl-, acetate, cis-
• PTBCA 25-cis
• cis-1-Acetoxy-4-tert-butylcyclohexane
• cis-4-tert-Butyl-1-acetoxycyclohexane
• cis-p-tert-Butylcyclohexyl acetate
• cis-4-tert-Butylcyclohexyl acetate
• cis-4-tert-Butylcyclohexyl acetate