≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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 10 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
4-Ethynyltoluene was used in the synthesis of bis(bicyclic) products by the cycloaddition of alkynes to the AlN2C2
It was used in the synthesis of bis(bicyclic) products by the cycloaddition of alkynes to the AlN2C2.
| Pubchem Sid | 488181771 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181771 |
| Sonrisas canónicas | CC1=CC=C(C=C1)C#C |
| IUPAC Name | 1-ethynyl-4-methylbenzene |
| InChIKey | KSZVOXHGCKKOLL-UHFFFAOYSA-N |
| INCHI | 1S/C9H8/c1-3-9-6-4-8(2)5-7-9/h1,4-7H,2H3 |
| Isómeros SMILES | CC1=CC=C(C=C1)C#C |
| WGK Alemania | 3 |
| RTECS | XT2570000 |
| Número ONU | 3295 |
| Peso molecular | 116.16 |
| Beilstein | 5(4)1531 |
| Reaxy-Rn | 969653 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969653&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 |
| Clase | 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 |
| Descripción | 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 | Fecha | Articulo |
|---|---|---|---|
 L2424258 | Certificate of Analysis | Sep 07, 2026 | E106375 |
| E2118025 | Certificate of Analysis | Aug 04, 2026 | E106375 |
| H2409455 | Certificate of Analysis | May 11, 2026 | E106375 |
| H2409456 | Certificate of Analysis | May 11, 2026 | E106375 |
| I2123179 | Certificate of Analysis | Mar 03, 2025 | E106375 |
| I2123180 | Certificate of Analysis | Mar 03, 2025 | E106375 |
| I2123181 | Certificate of Analysis | Mar 03, 2025 | E106375 |
| D2310334 | Certificate of Analysis | Jan 20, 2025 | E106375 |
| D2310333 | Certificate of Analysis | Jan 20, 2025 | E106375 |
| D2310307 | Certificate of Analysis | Jan 15, 2025 | E106375 |
| H2409453 | Certificate of Analysis | Jul 08, 2024 | E106375 |
| H2409454 | Certificate of Analysis | Jul 08, 2024 | E106375 |
| F2008021 | Certificate of Analysis | Jan 11, 2024 | E106375 |
| F1920112 | Certificate of Analysis | Jan 05, 2023 | E106375 |
| Solubilidad | Insoluble in water |
|---|---|
| Sensibilidad | air sensitive |
| Índice de refracción | 1.547 |
| Punto de inflamación (°F) | 120.2 °F |
| Punto de inflamación (°C) | 48℃ |
| Punto de ebullición (°C) | 168-170℃ |
| Punto de fusión (°C) | 23 °C |
| Peso molecular | 116.160 g/mol |
| XLogP3 | 3.000 |
| 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 | 118.000 |
| 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. Gao-yu Zhao, Shan Hu, Shu-chang Luo, Juan Lei, Yanfen Wei. (2023) Electronic effect of substituents regulates the photocatalytic activity of PhC2Cu. JOURNAL OF ALLOYS AND COMPOUNDS, [PMID:] [10.1016/j.jallcom.2023.169885] |
| 2. 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] |
| 3. Minkang Li, Lina Zhang, Zhongzheng Zhang, Jialin Shi, Yuefeng Liu, Jiansong Chen, Nannan Sun, Wei Wei. (2021) SiO2-Coated Ag Nanoparticles for Conversion of Terminal Alkynes to Propolic Acids via CO2 Insertion. ACS Applied Nano Materials, [PMID:] [10.1021/acsanm.1c01101] |
| 4. 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] |
| 5. Shaorui Yan, Ruinian Zhou, Feng Han, Mengmeng Feng, Chengxia Miao, Shuai Zhang, Shiyun Ai. (2019) A CO2-induced ROCO2Na/ROCO2H buffer solution promoted the carboxylative cyclization of propargyl alcohol to synthesize cyclic carbonates. Catalysis Science & Technology, 10 (3): (736-741). [PMID:] [10.1039/C9CY02311A] |
| 6. Jialin Shi, Lina Zhang, Nannan Sun, Deng Hu, Qun Shen, Fang Mao, Qiang Gao, Wei Wei. (2019) Facile and Rapid Preparation of Ag@ZIF-8 for Carboxylation of Terminal Alkynes with CO2 in Mild Conditions. ACS Applied Materials & Interfaces, [PMID:31313900] [10.1021/acsami.9b07991] |
| 7. Yanan Liu, Jiaying Zhao, Junting Feng, Yufei He, Yiyun Du, Dianqing Li. (2018) Layered double hydroxide-derived Ni-Cu nanoalloy catalysts for semi-hydrogenation of alkynes: Improvement of selectivity and anti-coking ability via alloying of Ni and Cu. JOURNAL OF CATALYSIS, [PMID:] [10.1016/j.jcat.2018.01.009] |
| 8. Xilun Zhang, Hongliang Liang, Fei Chang. (2024) Magnesium oxide-supported potassium hydride as a transition-metal-free catalyst for the selective hydrogenation of alkynes. JOURNAL OF CATALYSIS, [PMID:] [10.1016/j.jcat.2024.115851] |
| 9. Aonan Zhu, Shu Niu, Ning Zhao, Zhao Zhang, Wei Xie. (2024) Modulating Copper Ladder Spacing in Copper Phenylacetylide for Enhanced Photocatalysis via Substituent Control. ACS Applied Materials & Interfaces, [PMID:39269917] [10.1021/acsami.4c11423] |
| 10. Qiang Ren, Zhe Zhao, Siwen Ding, Zhiwei Zhao, Liyuan Chen, Guannan Chen, Lulu Yuan, Zhenhua Jiang, Jinhui Pang. (2025) Sterically engineered bulky crosslinked poly(arylpiperidinium) anion exchange membranes with microphase-separated morphology and superior dimensional stability. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2025.171508] |
