Dotriacontane - analytical standard, ≥99%(GC) , CAS No.544-85-4

CAS: 544-85-4 Cat. No.: D104743 Formule: C₃₂H₆₆ Poids moléculaire: 450.87 Beilstein Registry Number: 1783260 Numéro CE: 208-881-5

QUALITÉ & PURETÉ Analytical standard, ≥99%(GC)

Synonyms

Bicetyl|Dotriacontane, n-|Dotriacontane; Bicetyl; NSC 6361; n-Dotriacontane|Lacceran|DICETYL|DOTRIACONTANE|n-Dotriacontane

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

Bicetyl | Dotriacontane, n- | Dotriacontane; Bicetyl; NSC 6361; n-Dotriacontane | Lacceran | DICETYL | DOTRIACONTANE | n-Dotriacontane

Spécifications et pureté

analytical standard, ≥99%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Analytical standard

Pureté

≥99%(GC)

Noms et identifiants

Pubchem Sid

508811463

Sourires canoniques

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

IUPAC Name

dotriacontane

InChIKey

QHMGJGNTMQDRQA-UHFFFAOYSA-N

INCHI

1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3

Isomères SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

WGK Allemagne

3

RTECS

JT2360000

Poids moléculaire

450.87

Beilstein

1783260

Reaxy-Rn

1783260

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1783260&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: 1.455
• Point d'ébullition (°C): 467°C
• Point de fusion (°C): 69.7°C
• Poids moléculaire: 450.900 g/mol
• XLogP3: 16.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 29
• Exact Mass: 450.516 Da
• Monoisotopic Mass: 450.516 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 264.000
• 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