CAS 127450-90-2

3-Chloro-α-ethyl-α,2-dimethylbenzenemethanol

Description:

3-Chloro-α-ethyl-α,2-dimethylbenzenemethanol, identified by its CAS number 127450-90-2, is an organic compound characterized by its complex structure, which includes a chlorinated aromatic ring and an alcohol functional group. This compound features a chlorinated benzene derivative with ethyl and dimethyl substituents, contributing to its unique chemical properties. The presence of the hydroxyl (-OH) group indicates that it is an alcohol, which can participate in hydrogen bonding, influencing its solubility and reactivity. The chlorinated nature of the compound may impart additional reactivity, making it useful in various chemical syntheses or applications. Its molecular structure suggests potential applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. The physical properties, such as boiling point, melting point, and solubility, would depend on the specific arrangement of its substituents and the overall molecular interactions. As with many chlorinated compounds, considerations regarding environmental impact and toxicity are essential for its handling and use.

Formula: C₁₁H₁₅ClO

InChI: InChI=1S/C11H15ClO/c1-4-11(3,13)9-6-5-7-10(12)8(9)2/h5-7,13H,4H2,1-3H3

InChI key: InChIKey=NSQNKOIBYRFNCQ-UHFFFAOYSA-N

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

Synonyms:

• 3-Chloro-α-ethyl-α,2-dimethylbenzenemethanol
• 2-(3-Chloro-2-methylphenyl)-2-butanol
• Benzenemethanol, 3-chloro-α-ethyl-α,2-dimethyl-