≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504757079 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757079 |
| Canonical Smiles | CC1=CC=CC=C1C#C |
| IUPAC Name | 1-ethynyl-2-methylbenzene |
| InChIKey | MYBSUWNEMXUTAX-UHFFFAOYSA-N |
| INCHI | 1S/C9H8/c1-3-9-7-5-4-6-8(9)2/h1,4-7H,2H3 |
| Isomeric SMILES | CC1=CC=CC=C1C#C |
| WGK Germany | 3 |
| UN Number | 3295 |
| Molecular Weight | 116.16 |
| Reaxy-Rn | 1923262 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1923262&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Toluenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Toluenes |
| Alternative Parents | Aromatic hydrocarbons Acetylides Acetylenes |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Toluene - Aromatic hydrocarbon - Acetylide - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2631052 | Certificate of Analysis | Apr 14, 2026 | E117998 |
| G2207207 | Certificate of Analysis | Jan 19, 2026 | E117998 |
| G2207212 | Certificate of Analysis | Jan 19, 2026 | E117998 |
| G2207213 | Certificate of Analysis | Jan 19, 2026 | E117998 |
| H1821023 | Certificate of Analysis | Oct 14, 2025 | E117998 |
| L2502396 | Certificate of Analysis | Jul 03, 2024 | E117998 |
| D2127068 | Certificate of Analysis | Feb 08, 2023 | E117998 |
| C2014032 | Certificate of Analysis | Jan 25, 2022 | E117998 |
| Refractive Index | 1.547 |
|---|---|
| Flash Point(°F) | 95 °F |
| Flash Point(°C) | 35 °C |
| Boil Point(°C) | 50-60°C |
| Molecular Weight | 116.160 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 116.063 Da |
| Monoisotopic Mass | 116.063 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 126.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
