Octacosane - analytical standard, ≥99%(GC) , CAS No.630-02-4

CAS: 630-02-4 Cat. No.: O111744 Molecular Weight: 394.76 Beilstein Registry Number: 1770570 EC Number: 211-125-7

GRADE & PURITY Analytical standard, ≥99%(GC)

Synonyms

NSC 5549; n-Octacosane | STL453125 | n-Octcosane | NSC5549 | NSC-5549 | Octacosane 1000 microg/mL in Dichloromethane | VFF49836P8 | EINECS 211-125-7 | Q3348776 | O0002 | DTXSID6058639 | Octacosane, analytical standard | E66BE919-93E8-4101-AB46-9612FE79639

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

NSC 5549; n-Octacosane | STL453125 | n-Octcosane | NSC5549 | NSC-5549 | Octacosane 1000 microg/mL in Dichloromethane | VFF49836P8 | EINECS 211-125-7 | Q3348776 | O0002 | DTXSID6058639 | Octacosane, analytical standard | E66BE919-93E8-4101-AB46-9612FE79639

Specifications & Purity

analytical standard, ≥99%(GC)

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Purity

≥99%(GC)

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCC
• IUPAC Name: octacosane
• InChIKey: ZYURHZPYMFLWSH-UHFFFAOYSA-N
• INCHI: 1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC
• WGK Germany: 3
• UN Number: 1325
• Packing Group: II
• Molecular Weight: 394.76
• Beilstein: 1770570
• Reaxy-Rn: 1770570
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1770570&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Saturated hydrocarbons
      • Subclass Alkanes

• 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: an alkane

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Flash Point(°F): 441°F
• Flash Point(°C): 227℃
• Boil Point(°C): 286°C/15mmHg
• Melt Point(°C): 62°C
• Molecular Weight: 394.800 g/mol
• XLogP3: 14.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 25
• Exact Mass: 394.454 Da
• Monoisotopic Mass: 394.454 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 218.000
• 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

References

1. Potao Sun, Chaolu Niu, Wenxia Sima, Tao Yuan, Ming Yang, Mingke Zhao, Zheng Fang, QiChang Liu, Qin Deng.  (2023)  Magnetic field dual responsive blueberry-like microsphere achieving targeted, multiple-cyclic, long-term self-healing against electrical damage in insulating materials.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2023.107752]

2. Xu Jianing, Tan Yunlong, Du Xiaosheng, Du Zongliang, Cheng Xu, Wang Haibo.  (2020)  Cellulose nanofibril/polypyrrole hybrid aerogel supported form-stable phase change composites with superior energy storage density and improved photothermal conversion efficiency.  CELLULOSE,  27  (16): (9547-9558).  [PMID:] [10.1007/s10570-020-03437-7]

3. Xiaosheng Du, Jinghong Qiu, Sha Deng, Zongliang Du, Xu Cheng, Haibo Wang.  (2020)  Flame-retardant and form-stable phase change composites based on black phosphorus nanosheets/cellulose nanofiber aerogels with extremely high energy storage density and superior solar-thermal conversion efficiency.  Journal of Materials Chemistry A,  8  (28): (14126-14134).  [PMID:] [10.1039/D0TA05078D]

4. Xiao Meng, Siyin Qin, Hongbo Fan, Zhaowen Huang, Jiaoling Hong, Xiaoying Xu, Xing Ouyang, Da-Zhu Chen.  (2020)  Long alkyl chain-grafted carbon nanotube-decorated binary-core phase-change microcapsules for heat energy storage: Synthesis and thermal properties.  SOLAR ENERGY MATERIALS AND SOLAR CELLS,      [PMID:] [10.1016/j.solmat.2020.110589]

5. Qing Du, Xin Shang, Yangyang Yuan, Xiong Su, Yanqiang Huang.  (2025)  Hydrocracking of Polyethylene to Gasoline-Range Hydrocarbons over a Ruthenium-Zeolite Bifunctional Catalyst System with Optimal Synergy of Metal and Acid Sites.  Catalysts,  15  (4): (335).  [PMID:] [10.3390/catal15040335]

6. Yan Zhang, Huan Liu, Shan Yu, Ruocheng Pei, Haiyang Hu, Weiwei Wang, Ping Xu, Hongzhi Tang.  (2025)  Characterization of C16–C36 alkane degradation and oily sludge bioremediation by Rhodococcus erythropolis XP.  APPLIED AND ENVIRONMENTAL MICROBIOLOGY,      [PMID:41334916] [10.1128/aem.02124-25]