Dioctadecyl Ether - ≥95% , CAS No.6297-03-6

CAS: 6297-03-6 Cat. No.: D155568 Summenformel: C₃₆H₇₄O Molekulargewicht: 522.99 EG-Nummer: 228-567-1

GRADE & PURITY ≥95%

Synonyms

bis-octadecylether | EINECS 228-567-1 | FT-0636074 | SC6T3MJF8Y | NSC-335755 | 2-methylpropyl 2-(2-methylpropoxy)-2H-quinoline-1-carboxylate | dioctadecylether | SCHEMBL72755 | Octadecyl ether | 3-(2H-1,2,3,4-tetrazol-5-yl)aniline | AKOS024429013 | COSMAC

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyme

bis-octadecylether | EINECS 228-567-1 | FT-0636074 | SC6T3MJF8Y | NSC-335755 | 2-methylpropyl 2-(2-methylpropoxy)-2H-quinoline-1-carboxylate | dioctadecylether | SCHEMBL72755 | Octadecyl ether | 3-(2H-1,2,3,4-tetrazol-5-yl)aniline | AKOS024429013 | COSMAC

Spezifikationen & Reinheit

≥95%

Storage

Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC
• IUPAC Name: 1-octadecoxyoctadecane
• InChIKey: HBXWUCXDUUJDRB-UHFFFAOYSA-N
• INCHI: 1S/C36H74O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
• Isomere SMILES: CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC
• Molekulargewicht: 522.99
• Reaxy-Rn: 1714786
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1714786&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• External Descriptors: Not available

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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 131°C/6mmHg(lit.)
• Schmelzpunkt (°C): 63 °C
• Molekulargewicht: 523.000 g/mol
• XLogP3: 17.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 34
• Exact Mass: 522.574 Da
• Monoisotopic Mass: 522.574 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 332.000
• 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