Tetradecane - ≥98% , CAS No.629-59-4

CAS: 629-59-4 Cat. No.: T100022 Formula: CH₃(CH₂)₁₂CH₃ Molecular Weight: 198.39 Beilstein Registry Number: 1733859 EC Number: 211-096-0

GRADE & PURITY ≥98%

Synonyms

CAS-629-59-4 | Tetradekan | DTXSID1027267 | CHEBI:41253 | HSDB 5728 | NSC-72440 | BRN 1733859 | MFCD00008986 | EC 211-096-0 | AI3-04240 | 03LY784Y58 | Tetradecane, N- | N-TETRADECANE | NSC 72440 | DTXCID707267 | CCRIS 715 | UNII-03LY784Y58 | n-Tetradecane

Storage

Room temperature

Shipped In

Normal

Overview

Tetradecane was used to study the thermodiffusion behavior of the microemulsion droplets of H2O/n-alkanes/C12E5 (pentaethylene glycol monododecyl ether).

Specifications

Synonyms

CAS-629-59-4 | Tetradekan | DTXSID1027267 | CHEBI:41253 | HSDB 5728 | NSC-72440 | BRN 1733859 | MFCD00008986 | EC 211-096-0 | AI3-04240 | 03LY784Y58 | Tetradecane, N- | N-TETRADECANE | NSC 72440 | DTXCID707267 | CCRIS 715 | UNII-03LY784Y58 | n-Tetradecane

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Canonical Smiles

CCCCCCCCCCCCCC

IUPAC Name

tetradecane

InChIKey

BGHCVCJVXZWKCC-UHFFFAOYSA-N

INCHI

1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3

Isomeric SMILES

CCCCCCCCCCCCCC

WGK Germany

3

RTECS

XB8000000

Molecular Weight

198.39

Beilstein

1733859

Reaxy-Rn

1733859

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733859&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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ether, acetone and alcohol. Insoluble in water.
• Sensitivity: Moisture sensitive.
• Refractive Index: 1.429
• Flash Point(°C): 100℃
• Boil Point(°C): 253.7°C
• Melt Point(°C): 5.86°C
• Molecular Weight: 198.390 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 11
• Exact Mass: 198.235 Da
• Monoisotopic Mass: 198.235 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 74.000
• 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