Decane - ≥99%(GC) , CAS No.124-18-5

CAS: 124-18-5 Cat. No.: D105230 Formula: C₁₀H₂₂ Molecular Weight: 142.29 Beilstein Registry Number: 1696981 EC Number: 204-686-4

GRADE & PURITY ≥99%(GC)

Synonyms

NK85062OIY | s11595 | AI3-24107 | CCRIS 653 | Tox21_201881 | CACTUS NORMAL PARAFFIN N 10 | CAS-124-18-5 | UN2247 | n-Decane 1000 microg/mL in Methanol | DECANE [INCI] | EN300-19466 | n-Decane | LS-13903 | WLN: 10H | BRN 1696981 | Tox21_300336 | NCGC002542

Storage

Room temperature

Shipped In

FedEx DG Service

Overview

Decane (C10 H12) is an acyclic saturated hydrocarbon.

Specifications

Synonyms

NK85062OIY | s11595 | AI3-24107 | CCRIS 653 | Tox21_201881 | CACTUS NORMAL PARAFFIN N 10 | CAS-124-18-5 | UN2247 | n-Decane 1000 microg/mL in Methanol | DECANE [INCI] | EN300-19466 | n-Decane | LS-13903 | WLN: 10H | BRN 1696981 | Tox21_300336 | NCGC002542

Specifications & Purity

≥99%(GC)

Biochemical and Physiological Mechanisms

Decane-1,2-diol derivative might prevent cancer development.

Storage

Room temperature

Shipped In

FedEx DG Service

Purity

≥99%(GC)

Names and Identifiers

Pubchem Sid

488182147

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182147

Canonical Smiles

CCCCCCCCCC

IUPAC Name

decane

InChIKey

DIOQZVSQGTUSAI-UHFFFAOYSA-N

INCHI

1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3

Isomeric SMILES

CCCCCCCCCC

WGK Germany

3

RTECS

HD6550000

UN Number

2247

Packing Group

III

Molecular Weight

142.29

Beilstein

1696981

Reaxy-Rn

1696981

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696981&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: Soluble in alcohol and ethers. Miscible with ethanol and ether. Slightly miscible with carbon tetrachloride. Immiscible with water.
• Refractive Index: n20/D 1.411
• Flash Point(°F): 114.8°F
• Flash Point(°C): 46 °C
• Boil Point(°C): 174°C
• Melt Point(°C): -30°C
• Molecular Weight: 142.280 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 142.172 Da
• Monoisotopic Mass: 142.172 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 40.000
• 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