≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,Room temperature Ships 보통 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-에티닐톨루엔은 알킨을 AlN2C2에 사이클로디온하여 비스(바이사이클릭) 생성물을 합성하는 데 사용되었습니다
알킨을 AlN2C2에 사이클로디온하여 비스(바이사이클릭) 생성물의 합성에 사용되었습니다.
| Pubchem Sid | 488181771 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181771 |
| 정식 스마일 | 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 |
| 이성체 SMILES | CC1=CC=C(C=C1)C#C |
| WGK 독일 | 3 |
| RTECS | XT2570000 |
| UN 번호 | 3295 |
| 분자량 | 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 |
| 분류 | 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 |
| 설명 | 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 | 날짜 | 항목 |
|---|---|---|---|
 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 |
| 용해성 | Insoluble in water |
|---|---|
| 감도 | air sensitive |
| 굴절률 | 1.547 |
| 발화점(°F) | 120.2 °F |
| 발화점(°C) | 48℃ |
| 끓는점(°C) | 168-170℃ |
| 녹는점(°C) | 23 °C |
| 분자량 | 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] |
