Octacosane - ≥99% , CAS No.630-02-4

CAS: 630-02-4 Cat. No.: O111743 Formula: C₂₈H₅₈ Peso molecolare: 394.76 Beilstein Registry Number: 1770570 Numero EC: 211-125-7

QUALITÀ & PUREZZA ≥99%

Synonyms

n-Octacosane

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

n-Octacosane

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

504752331

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752331

Sorrisi canonici

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

Isomeri SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCC

WGK Germania

3

Numero UN

1325

Gruppo di imballaggio

II

Peso molecolare

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
    • Classe Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Toluene
• Punto di infiammabilità (°F): 441°F
• Punto di infiammabilità (°C): 227℃
• Punto di ebollizione (°C): 286°C/15mmHg
• Punto di fusione (°C): 62°C
• Peso molecolare: 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