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

CAS: 630-02-4 Cat. No.: O111744 Summenformel: C₂₈H₅₈ Molekulargewicht: 394.76 Beilstein Registry Number: 1770570 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

analytical standard, ≥99%(GC)

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Reinheit

≥99%(GC)

Namen und Kennungen

Pubchem Sid

528769593

Kanonisches Lächeln

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

Isomere SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCC

WGK Deutschland

3

UN-Nummer

1325

Verpackungsgruppe

II

Molekulargewicht

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
    • Klasse Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 441°F
• Flammpunkt (°C): 227℃
• Siedepunkt (°C): 286°C/15mmHg
• Schmelzpunkt (°C): 62°C
• Molekulargewicht: 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