Undecane - ≥98% , CAS No.1120-21-4

CAS: 1120-21-4 Cat. No.: U108241 Formula: C₁₁H₂₄ Molecular Weight: 156.31 EC Number: 214-300-6

GRADE & PURITY ≥98%

Synonyms

UNDECANE, N- | AI3-21126 | CCRIS 3796 | Undekan | DTXSID9021689 | MFCD00008959 | EC 214-300-6 | NSC 66159 | N-UNDECANE [HSDB] | CAS-1120-21-4 | n-Hendecane | Q150731 | NCGC00254001-01 | LS-14030 | undecan | CHEBI:46342 | UNDECANE [INCI] | NCGC00247896-01

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

UNDECANE, N- | AI3-21126 | CCRIS 3796 | Undekan | DTXSID9021689 | MFCD00008959 | EC 214-300-6 | NSC 66159 | N-UNDECANE [HSDB] | CAS-1120-21-4 | n-Hendecane | Q150731 | NCGC00254001-01 | LS-14030 | undecan | CHEBI:46342 | UNDECANE [INCI] | NCGC00247896-01

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

508812533

Canonical Smiles

CCCCCCCCCCC

IUPAC Name

undecane

InChIKey

RSJKGSCJYJTIGS-UHFFFAOYSA-N

INCHI

1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3

Isomeric SMILES

CCCCCCCCCCC

UN Number

2330

Packing Group

III

Molecular Weight

156.31

Reaxy-Rn

1697099

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697099&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: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water, miscible in alcohol and ether.
• Refractive Index: 1.42
• Flash Point(°C): 62°C
• Boil Point(°C): 195°C
• Melt Point(°C): -26°C
• Molecular Weight: 156.310 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 156.188 Da
• Monoisotopic Mass: 156.188 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 49.100
• 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