Eicosane - Standard for GC, ≥99%(GC) , CAS No.112-95-8

CAS: 112-95-8 Cat. No.: E100483 Formula: C₂₀H₄₂ Molecular Weight: 282.55 Beilstein Registry Number: 1700722 EC Number: 204-018-1

GRADE & PURITY Standard for GC, ≥99%(GC)

Synonyms

PARAFOL 20Z|Nonadecane, methyl-|EICOSANE|n-Eicosane|N-EICOSANE-D42|n-icosane|DIDECYL|Eicosane; MPCM 37; NSC 62789; Parafol 20Z; n-Eicosane|Icosane|EICOSANE [INCI]|octyldodecane

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

PARAFOL 20Z | Nonadecane, methyl- | EICOSANE | n-Eicosane | N-EICOSANE-D42 | n-icosane | DIDECYL | Eicosane; MPCM 37; NSC 62789; Parafol 20Z; n-Eicosane | Icosane | EICOSANE [INCI] | octyldodecane

Specifications & Purity

Standard for GC, ≥99%(GC)

Storage

Room temperature

Shipped In

Normal

Grade

Standard for GC

Purity

≥99%(GC)

Names and Identifiers

Pubchem Sid

528769596

Canonical Smiles

CCCCCCCCCCCCCCCCCCCC

IUPAC Name

icosane

InChIKey

CBFCDTFDPHXCNY-UHFFFAOYSA-N

INCHI

1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC

WGK Germany

3

Molecular Weight

282.55

Beilstein

1700722

Reaxy-Rn

1700722

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700722&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: 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

Chemical and Physical Properties

• Solubility: Insoluble in water; Soluble in Toluene,Benzene
• x_refractive_index: 1.4425
• x_flash_point_drop_fahrenheit: >235.4 °F
• x_flash_point_drop_centigrade: >110℃
• x_boil_point_char: 343°C
• x_melt_point_char: 36.8°C
• Molecular Weight: 282.500 g/mol
• XLogP3: 10.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 17
• Exact Mass: 282.329 Da
• Monoisotopic Mass: 282.329 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 132.000
• 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