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Hexaethylbenzene , CAS No.604-88-6
AVAILABLE TO ORDER
Storage
Room temperature
Shipped In
Normal
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Storage
Room temperature
Shipped In
Normal
Names and Identifiers
| Canonical Smiles | CCC1=C(C(=C(C(=C1CC)CC)CC)CC)CC |
|---|---|
| IUPAC Name | 1,2,3,4,5,6-hexaethylbenzene |
| InChIKey | LXSMILGNHYBUCG-UHFFFAOYSA-N |
| INCHI | 1S/C18H30/c1-7-13-14(8-2)16(10-4)18(12-6)17(11-5)15(13)9-3/h7-12H2,1-6H3 |
| Molecular Weight | 246.4 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Aromatic hydrocarbons Unsaturated hydrocarbons |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 246.400 g/mol |
|---|---|
| XLogP3 | 6.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 6 |
| Exact Mass | 246.235 Da |
| Monoisotopic Mass | 246.235 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 146.000 |
| 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 |
Citations of This Product
References
| 1. Yanhu Han, Zhaowei Jia, Wenxue Gong, Xuechun Wei, Yu Zhang, Mengying Tao, Yaofei Ren, Zuyi Lu, Yutong Wu, Jianhua Chen, Zhongfeng Shi, Zhenxia Zhao, Zhongxing Zhao. (2024) Slow-light-driven photocatalytic CO2 reduction to CH4 mediated by photonic crystal Graphdiyne-Cu/ZnO Z-scheme system. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2024.157636] |
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