Docosane - analytical standard, ≥99.5%(GC) , CAS No.629-97-0

CAS: 629-97-0 Cat. No.: D104734 Formule: C₂₂H₄₆ Poids moléculaire: 310.61 Beilstein Registry Number: 1702206 Numéro CE: 211-121-5

QUALITÉ & PURETÉ Analytical standard, ≥99.5%(GC)

Synonyms

HY-N9929 | Normal-docosane | OW99Q363KO | UNII-OW99Q363KO | TWT | MFCD00009348 | CHEBI:46050 | PARAFOL 22-95 | DOCOSANE | Docosane, analytical standard | Docosane; NSC 77139; n-Docosane | DTXCID5027063 | Q150968 | STL453762 | ABD59C73-3CA6-4508-B950-18336

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

HY-N9929 | Normal-docosane | OW99Q363KO | UNII-OW99Q363KO | TWT | MFCD00009348 | CHEBI:46050 | PARAFOL 22-95 | DOCOSANE | Docosane, analytical standard | Docosane; NSC 77139; n-Docosane | DTXCID5027063 | Q150968 | STL453762 | ABD59C73-3CA6-4508-B950-18336

Spécifications et pureté

analytical standard, ≥99.5%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Étalon d'analyse

Pureté

≥99.5%(GC)

Noms et identifiants

Pubchem Sid

528769587

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528769587

Sourires canoniques

CCCCCCCCCCCCCCCCCCCCCC

IUPAC Name

docosane

InChIKey

HOWGUJZVBDQJKV-UHFFFAOYSA-N

INCHI

1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3

Isomères SMILES

CCCCCCCCCCCCCCCCCCCCCC

WGK Allemagne

3

Poids moléculaire

310.61

Beilstein

1702206

Reaxy-Rn

1702206

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1702206&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
• 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: Hydrocarbons

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

Propriétés chimiques et physiques

• Indice de réfraction: 1.4455
• Point d'éclair (°F): >110℃
• Point d'éclair (°C): >110℃
• Point d'ébullition (°C): 368.6°C
• Point de fusion (°C): 44.4°C
• Poids moléculaire: 310.600 g/mol
• XLogP3: 11.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 19
• Exact Mass: 310.36 Da
• Monoisotopic Mass: 310.36 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 153.000
• 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