Dodecane - analytical standard, ≥99.7%(GC) , CAS No.112-40-3

CAS: 112-40-3 Cat. No.: D100105 Summenformel: C₁₂H₂₆ Molekulargewicht: 170.33 Beilstein Registry Number: 1697175 EG-Nummer: 203-967-9

GRADE & PURITY Analytical standard, ≥99.7%(GC)

Synonyms

CAS-112-40-3 | Dodecane, ReagentPlus(R), >=99% | Dihexyl | CCRIS 661 | C12-N-ALKANE | D0968 | Hydrocarbons, C4,1,3-butadiene-free, polymd., triisobutylene fraction, hydrogenated | MFCD00008969 | NSC 8714 | FT-0625568 | NSC8714 | NSC-8714 | Density Standar

Storage

Room temperature,Desiccated

Shipped In

Normal

Übersicht

Dodecane is a clear, colorless liquid, having a mild aliphatic hydrocarbon odor, and belongs to the family of acyclic alkanes.

Specifications

Synonyme

CAS-112-40-3 | Dodecane, ReagentPlus(R), >=99% | Dihexyl | CCRIS 661 | C12-N-ALKANE | D0968 | Hydrocarbons, C4,1,3-butadiene-free, polymd., triisobutylene fraction, hydrogenated | MFCD00008969 | NSC 8714 | FT-0625568 | NSC8714 | NSC-8714 | Density Standar

Spezifikationen & Reinheit

analytical standard, ≥99.7%(GC)

Storage

Room temperature,Desiccated

Verschickt in

Normal

Note

Analytischer Standard

Reinheit

≥99.7%(GC)

Namen und Kennungen

Kanonisches Lächeln

CCCCCCCCCCCC

IUPAC Name

dodecane

InChIKey

SNRUBQQJIBEYMU-UHFFFAOYSA-N

INCHI

1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3

Isomere SMILES

CCCCCCCCCCCC

WGK Deutschland

3

RTECS

JR2125000

Molekulargewicht

170.33

Beilstein

1697175

Reaxy-Rn

1697175

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697175&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Klasse Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Klasse: 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
• Beschreibung: 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water, easily soluble in ethanol, ether, acetone, chloroform, and carbon tetrachloride.
• Brechungsindex: 1.4221
• Flammpunkt (°F): 158.0 °F
• Flammpunkt (°C): 71℃
• Siedepunkt (°C): 213°C
• Schmelzpunkt (°C): -12°C
• Molekulargewicht: 170.330 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 170.203 Da
• Monoisotopic Mass: 170.203 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 56.400
• 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