CAS 6502-18-7

Benzene, 1-(3-butyn-1-yl)-2-methyl-

Description:

Benzene, 1-(3-butyn-1-yl)-2-methyl-, also known by its CAS number 6502-18-7, is an organic compound characterized by a benzene ring substituted with a 3-butyn-1-yl group and a methyl group. This compound features a linear alkyne (the 3-butyn-1-yl group) that contributes to its reactivity and potential applications in organic synthesis. The presence of the methyl group on the benzene ring influences its electronic properties, making it more nucleophilic compared to unsubstituted benzene. The compound is typically a colorless liquid with a distinct aromatic odor, and it is insoluble in water but soluble in organic solvents. Its structure allows for various chemical reactions, including electrophilic aromatic substitution and alkyne reactions, making it useful in the synthesis of more complex organic molecules. Safety considerations are important, as benzene derivatives can be toxic and potentially carcinogenic, necessitating proper handling and storage protocols in laboratory settings.

Formula: C₁₁H₁₂

InChI: InChI=1S/C11H12/c1-3-4-8-11-9-6-5-7-10(11)2/h1,5-7,9H,4,8H2,2H3

InChI key: InChIKey=DXUJGWXHZOSBKG-UHFFFAOYSA-N

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

Synonyms:

• Benzene, 1-(3-butyn-1-yl)-2-methyl-
• 1-(1-Butyn-4-yl)-2-methylbenzene
• Benzene, 1-(3-butynyl)-2-methyl-
• 1-(But-3-yn-1-yl)-2-methylbenzene
• 1-Butyne, 4-o-tolyl-