Dotriacontane - ≥98% , CAS No.544-85-4

CAS: 544-85-4 Cat. No.: D111490 Summenformel: C₃₂H₆₆ Molekulargewicht: 450.87 Beilstein Registry Number: 1783260 EG-Nummer: 208-881-5

GRADE & PURITY ≥98%

Synonyms

Bicetyl | EINECS 208-881-5 | NSC 6361 | NSC-6361 | 7KSV90RN23 | CHEBI:36020 | DTXSID5052202 | 4-01-00-00595 (Beilstein Handbook Reference) | HSDB 8362 | AI3-52367 | DOTRIACONTANE | UNII-7KSV90RN23 | n-Dotriacontane | BRN 1783260

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Bicetyl | EINECS 208-881-5 | NSC 6361 | NSC-6361 | 7KSV90RN23 | CHEBI:36020 | DTXSID5052202 | 4-01-00-00595 (Beilstein Handbook Reference) | HSDB 8362 | AI3-52367 | DOTRIACONTANE | UNII-7KSV90RN23 | n-Dotriacontane | BRN 1783260

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488181245
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181245
• Kanonisches Lächeln: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• IUPAC Name: dotriacontane
• InChIKey: QHMGJGNTMQDRQA-UHFFFAOYSA-N
• INCHI: 1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
• Isomere SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• WGK Deutschland: 3
• RTECS: JT2360000
• Molekulargewicht: 450.87
• Beilstein: 1783260
• Reaxy-Rn: 1783260
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1783260&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: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.455
• Siedepunkt (°C): 467°C
• Schmelzpunkt (°C): 69.7°C
• Molekulargewicht: 450.900 g/mol
• XLogP3: 16.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 29
• Exact Mass: 450.516 Da
• Monoisotopic Mass: 450.516 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 264.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 544-85-4, the molecular formula is C32H66, and the molecular weight is 450.87 g/mol. InChIKey QHMGJGNTMQDRQA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.