2-Methylphenylacetylene

2-Methylphenylacetylene is a chemical compound registered under number CAS 766-47-2, with the molecular formula C₉H₈, and a molar mass of 116.16 g/mol.

The molecule contains 17 atoms connected by 17 chemical bonds. The full systematic IUPAC name of this compound is 1-ethynyl-2-methylbenzene. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 2.5 (positive value, a lipophilic compound), polar surface area PSA = 0 Ų, 0 donors and 0 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Molecular formula	C9H8
Masa molowa	116.16 g/mol
IUPAC	1-ethynyl-2-methylbenzene
SMILES	CC1=CC=CC=C1C#C
InChIKey	MYBSUWNEMXUTAX-UHFFFAOYSA-N
logP (XLogP3)	2.5
PSA	0 Ų
HBD / HBA	0 / 0
PubChem CID	CID 136598 ↗

Signal word: Warning

H226 — Łatwopalna ciecz i pary

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

2-Methylphenylacetylene · 766-47-2 · Benzene,1-ethynyl-2-methyl- · RefChem:88367 · DTXCID10149898 · MYBSUWNEMXUTAX-UHFFFAOYSA-N · 2-Ethynyltoluene · 1-Ethynyl-2-methylbenzene · Benzene, 1-ethynyl-2-methyl- · 1-ethynyl-2-methyl-benzene · MFCD03427202 · 1-Ethynyl-2-methylbenzene # · CS-W013609 · AS-33246 · EN300-101008

• 📊 PubChem CID 136598 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność