Hexacosane - analytical standard, ≥99.5%(GC) , CAS No.630-01-3

CAS: 630-01-3 Cat. No.: H105441 Molecular Weight: 366.71 Beilstein Registry Number: 1705609 EC Number: 211-124-1

GRADE & PURITY Analytical standard, ≥99.5%(GC)

Synonyms

HEXACOSANE | MFCD00009354 | Trans-4-hydroxyl-lprolinemethyl esterhydrochloride | AKOS015902503 | D90786 | Hexacosane, 99% | HEXACOSANE, N- | n-Hexacosane | CH3-[CH2]24-CH3 | 0CI4OKE9VO | EINECS 211-124-1 | Hexacosane; NSC 122457; n-Hexacosane | HMSWAIKSFD

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

HEXACOSANE | MFCD00009354 | Trans-4-hydroxyl-lprolinemethyl esterhydrochloride | AKOS015902503 | D90786 | Hexacosane, 99% | HEXACOSANE, N- | n-Hexacosane | CH3-[CH2]24-CH3 | 0CI4OKE9VO | EINECS 211-124-1 | Hexacosane; NSC 122457; n-Hexacosane | HMSWAIKSFD

Specifications & Purity

analytical standard, ≥99.5%(GC)

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Purity

≥99.5%(GC)

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCCCCCCCCCCCC
• IUPAC Name: hexacosane
• InChIKey: HMSWAIKSFDFLKN-UHFFFAOYSA-N
• INCHI: 1S/C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC
• WGK Germany: 3
• Molecular Weight: 366.71
• Beilstein: 1705609
• Reaxy-Rn: 1705609
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1705609&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): 419℉
• Flash Point(°C): 215℃
• Boil Point(°C): 420°C
• Melt Point(°C): 56-59°C
• Molecular Weight: 366.700 g/mol
• XLogP3: 13.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 23
• Exact Mass: 366.423 Da
• Monoisotopic Mass: 366.423 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 196.000
• 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. Ye Maosheng, Chen Wei, Wang Yixuan, Zhao Ran, Xiao Wuyi, Li Jiexin, Meng Jingxin, Wang Shutao.  (2024)  Temperature-driven sustainable anti-scaling on phase-change lubricant-infused surface.  Science China-Materials,      [PMID:] [10.1007/s40843-024-2895-4]

2. Wentong Zhang, Jieying La, Huan Tan, Hai Huang, Zhilin Cheng, Ming Zhang, Ruorong Wang, Can Shi.  (2025)  Electric-field assisted enhancement of CO₂/hydrocarbon miscibility for tight sandstone oil recovery: Experimental and molecular dynamics insights.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2025.138399]