Average Mw~25000 for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Room temperature,Argon charged 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | Cc1ccc(C=C)cc1 |
|---|---|
| IUPAC Name | 1-ethenyl-4-methylbenzene |
| InChIKey | JLBJTVDPSNHSKJ-UHFFFAOYSA-N |
| INCHI | 1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)C=C |
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 | Styrenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Styrenes |
| Alternative Parents | Toluenes Aromatic hydrocarbons Cyclic olefins |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Styrene - Toluene - Aromatic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety. |
| External Descriptors | Not available |
| Flash Point(°F) | Not applicable |
|---|---|
| Flash Point(°C) | Not applicable |
| Melt Point(°C) | Tg106℃ |
| Molecular Weight | 118.180 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 118.078 Da |
| Monoisotopic Mass | 118.078 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 86.200 |
| 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. Huanhuan Ma, Linan Wang, Yachao Liang, Zhe Cui, Peng Fu, Minying Liu, Xiaoguang Qiao, Xinchang Pang. (2020) Novel tetraphenylethylene (TPE)-functionalized nitroxide/alkoxyamine for nitroxide-mediated homogeneous and heterogeneous polymerizations. Polymer Chemistry, 12 (4): (526-533). [PMID:] [10.1039/D0PY01369B] |
C2624489