≥96% 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504759691 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759691 |
| Sorrisi canonici | COC1=CC=CC(=C1)C#C |
| IUPAC Name | 1-ethynyl-3-methoxybenzene |
| InChIKey | ZASXCTCNZKFDTP-UHFFFAOYSA-N |
| INCHI | 1S/C9H8O/c1-3-8-5-4-6-9(7-8)10-2/h1,4-7H,2H3 |
| Isomeri SMILES | COC1=CC=CC(=C1)C#C |
| WGK Germania | 3 |
| Peso molecolare | 132.16 |
| Reaxy-Rn | 1929696 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1929696&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 |
| Classe | Phenol ethers |
| Subclass | Anisoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anisoles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Acetylides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Acetylide - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Oggetto |
|---|---|---|---|
 J2214296 | Certificate of Analysis | Jul 06, 2026 | E123092 |
| G1414004 | Certificate of Analysis | Jan 27, 2026 | E123092 |
| K2129524 | Certificate of Analysis | Sep 19, 2025 | E123092 |
| K2129525 | Certificate of Analysis | Sep 19, 2025 | E123092 |
| Sensibilità | Light Sensitive,Air Sensitive,Heat Sensitive |
|---|---|
| Indice di rifrazione | 1.555 |
| Punto di infiammabilità (°F) | 168.8 °F |
| Punto di infiammabilità (°C) | 76°C(169°F) |
| Punto di ebollizione (°C) | 204-210°C |
| Peso molecolare | 132.160 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 132.058 Da |
| Monoisotopic Mass | 132.058 Da |
| Topological Polar Surface Area | 9.200 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 142.000 |
| 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 |
| 1. Qingxia Zhu, Xiaowen Lu, Siqi Ji, Honghong Li, Jun Wang, Zhijun Li. (2021) Fully exposed cobalt nanoclusters anchored on nitrogen-doped carbon synthesized by a host-guest strategy for semi-hydrogenation of phenylacetylene. JOURNAL OF CATALYSIS, [PMID:] [10.1016/j.jcat.2021.11.021] |
| 2. Zhijun Li, Qinghui Ren, Xuexia Wang, Wenxing Chen, Leipeng Leng, Mingyang Zhang, J. Hugh Horton, Bo Liu, Qian Xu, Wei Wu, Jun Wang. (2021) Highly Active and Stable Palladium Single-Atom Catalyst Achieved by a Thermal Atomization Strategy on an SBA-15 Molecular Sieve for Semi-Hydrogenation Reactions. ACS Applied Materials & Interfaces, [PMID:33412851] [10.1021/acsami.0c17570] |
