CAS 75659-51-7

1-Ethynyl-3-(1-methylethyl)benzene

Description:

1-Ethynyl-3-(1-methylethyl)benzene, also known as isopropyl phenylacetylene, is an organic compound characterized by its alkyne functional group and aromatic ring structure. It features a phenyl group substituted with an ethynyl group at one position and an isopropyl group at another, contributing to its unique chemical properties. This compound is typically a colorless to pale yellow liquid with a distinct aromatic odor. It is relatively insoluble in water but soluble in organic solvents such as ethanol and ether. The presence of the ethynyl group imparts reactivity, making it useful in various organic synthesis applications, particularly in the formation of more complex molecules through reactions like cross-coupling. Additionally, its structure allows for potential applications in materials science, particularly in the development of polymers and other advanced materials. Safety precautions should be observed when handling this compound, as it may pose health risks if inhaled or ingested.

Formula: C₁₁H₁₂

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

InChI key: InChIKey=MPHWKUPDZYACTI-UHFFFAOYSA-N

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

Synonyms:

• Benzene, 1-ethynyl-3-(1-methylethyl)-
• 1-Ethynyl-3-(propan-2-yl)benzene
• 1-Ethynyl-3-isopropyl-benzene
• 1-Ethynyl-3-(1-methylethyl)benzene