≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
|---|---|
| IUPAC Name | pentacontane |
| InChIKey | PFLUOWJPZLHUEA-UHFFFAOYSA-N |
| INCHI | 1S/C50H102/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-50H2,1-2H3 |
| Isomeric SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| WGK Germany | 3 |
| PubChem CID | 81067 |
| Molecular Weight | 703.37 |
| Beilstein | 1807880 |
| Reaxy-Rn | 1807879 |
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 | Hydrocarbons |
| Class | Saturated hydrocarbons |
| Subclass | Alkanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkanes |
| Alternative Parents | Not available |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Acyclic alkane - Alkane - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. |
| External Descriptors | Not available |
| Sensitivity | Moisture sensitive |
|---|---|
| Melt Point(°C) | 94 °C |
| Molecular Weight | 703.300 g/mol |
| XLogP3 | 26.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 47 |
| Exact Mass | 702.798 Da |
| Monoisotopic Mass | 702.798 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 50 |
| Formal Charge | 0 |
| Complexity | 488.000 |
| 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. Nianyue Zhang, Shuilong Kang, Meng Zhang, Sifan You, Xiang Hu, Guangyuan Feng, Kunal S. Mali, Steven De Feyter, Oleksandr Ivasenko, Lifeng Chi, Yuan Fang. (2025) Toward Unified Mechanism of Bias-Dependent Switching in Reactive Self-Assembly Systems. ACS Nano, [PMID:40607774] [10.1021/acsnano.5c03607] |
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