Description

4-Methylphenylacetylene (CAS No. 766-97-2), also known as p-Tolylacetylene or 1-ethynyl-4-methylbenzene, is a high-purity organic compound with the molecular formula C₉H₈. This aromatic alkyne features a terminal acetylene group attached to a para-substituted methylbenzene ring, making it a versatile building block in synthetic organic chemistry. Our product is rigorously tested to ensure exceptional quality, with purity levels suitable for advanced research applications. Ideal for use in cross-coupling reactions, polymerization, and material science, this compound is available in secure, light-resistant packaging to maintain stability. Store in a cool, dry environment under inert conditions for optimal shelf life.

Properties

• CAS Number: 766-97-2
• Complexity: 118
• IUPAC Name: 1-ethynyl-4-methyl-benzene
• InChI: InChI=1S/C9H8/c1-3-9-6-4-8(2)5-7-9/h1,4-7H,2H3
• InChI Key: KSZVOXHGCKKOLL-UHFFFAOYSA-N
• Exact Mass: 116.062600255
• Molecular Formula: C9H8
• Molecular Weight: 116.16
• SMILES: CC1=CC=C(C=C1)C#C
• Monoisotopic Mass: 116.062600255
• Synonyms: 4-Ethynyltoluene, 4-Methylphenylacetylene, 1-Ethynyl-4-methylbenzene, 766-97-2, p-Tolylacetylene, p-Ethynyltoluene, Benzene, 1-ethynyl-4-methyl-, p-Methylphenylacetylene, TOLUENE, p-ETHYNYL-, 4′-METHYLPHENYL ACETYLENE, 4-Ethynyltoluene, 97%, 1-ethynyl-4-methyl-benzene, Benzene, 1-ethynyl-4-methyl- (9CI), BRN 0969653, p-toluylacetylene, 4-tolylacetylene, p-tolyl acetylene, 4-ethynyl toluene, 4-ethynyl-toluene, 4-tolyl Acetylene, 4-methylphenylethyne, MFCD00008571, (p-Methylphenyl)ethyne, 4-methyl phenylacetylene, 4-methyl-phenylacetylene, 4-ethynyl-1-methylbenzene, SCHEMBL44066, 4-05-00-01531 (Beilstein Handbook Reference), 1-Ethynyl-4-methylbenzene #, SCHEMBL121302, SCHEMBL209396, SCHEMBL457825, SCHEMBL458995, DTXSID30227420, CHEBI:177630, STR09190, SBB063611, AKOS005146079, CS-W013610, PS-3182, 4-Methylphenylacetylene;4-Ethynyltoluene, AC-18173, DB-012601, XT2570000, E0655, NS00037832, EN300-99194, Z1080385478

Application

4-Methylphenylacetylene is widely employed in organic synthesis as a key intermediate for Sonogashira coupling, click chemistry, and the preparation of conjugated polymers. Its terminal alkyne functionality enables efficient incorporation into pharmaceutical scaffolds and advanced materials. Researchers also utilize it in the development of liquid crystals, organic semiconductors, and metal-organic frameworks (MOFs).

Safety and Hazards

GHS Hazard Statements

• H226 (98%): Flammable liquid and vapor [Warning Flammable liquids]
• H304 (10.2%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
• H315 (89.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (98%)
• Skin Irrit. 2 (89.8%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (98%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.