CAS 86604-02-6

4-(1,1-Dimethylethyl)-α-ethynylbenzenemethanol

Description:

4-(1,1-Dimethylethyl)-α-ethynylbenzenemethanol, identified by its CAS number 86604-02-6, is an organic compound characterized by its unique structure that includes a phenolic group and an ethynyl substituent. This compound features a tert-butyl group (1,1-dimethylethyl) attached to a benzene ring, which contributes to its hydrophobic properties. The presence of the ethynyl group introduces a triple bond, enhancing its reactivity and potential for further chemical modifications. The hydroxyl (-OH) group in the benzenemethanol structure imparts some polar characteristics, allowing for hydrogen bonding, which can influence its solubility in various solvents. This compound may exhibit interesting biological activities due to its structural features, making it a subject of interest in medicinal chemistry and materials science. Its stability and reactivity can be influenced by environmental factors such as temperature and pH, which are important considerations in its application and handling. Overall, this compound's unique combination of hydrophobic and polar characteristics makes it a versatile candidate for various chemical applications.

Formula: C₁₃H₁₆O

InChI: InChI=1S/C13H16O/c1-5-12(14)10-6-8-11(9-7-10)13(2,3)4/h1,6-9,12,14H,2-4H3

InChI key: InChIKey=CDKPCBWQFWORLM-UHFFFAOYSA-N

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

Synonyms:

• 4-(1,1-Dimethylethyl)-α-ethynylbenzenemethanol
• 1-(4-tert-Butylphenyl)-2-propyn-1-ol
• 1-(4-tert-Butylphenyl)prop-2-yn-1-ol
• Benzenemethanol, 4-(1,1-dimethylethyl)-α-ethynyl-