CAS 1314965-00-8

3-Chloro-α,α,4-trimethylbenzeneethanol

Description:

3-Chloro-α,α,4-trimethylbenzeneethanol, identified by its CAS number 1314965-00-8, is an organic compound characterized by its chlorinated aromatic structure and alcohol functional group. This compound features a chlorinated benzene ring with three methyl groups and an ethanol moiety, which contributes to its unique chemical properties. The presence of the chlorine atom introduces polarity, potentially affecting its solubility and reactivity compared to non-chlorinated analogs. The trimethyl substitution on the benzene ring enhances steric hindrance, which can influence its interactions with other molecules. As an alcohol, it can participate in hydrogen bonding, impacting its boiling point and solubility in polar solvents. The compound may exhibit biological activity, making it of interest in various fields, including pharmaceuticals and agrochemicals. However, specific data regarding its toxicity, environmental impact, and practical applications would require further investigation and analysis. Overall, 3-Chloro-α,α,4-trimethylbenzeneethanol represents a complex structure with potential utility in chemical synthesis and research.

Formula: C₁₁H₁₅ClO

InChI: InChI=1S/C11H15ClO/c1-8-4-5-9(6-10(8)12)7-11(2,3)13/h4-6,13H,7H2,1-3H3

InChI key: InChIKey=GONSKZVFONJJKM-UHFFFAOYSA-N

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

Synonyms:

• Benzeneethanol, 3-chloro-α,α,4-trimethyl-
• 3-Chloro-α,α,4-trimethylbenzeneethanol