Dotriacontane - analytical standard, ≥99%(GC) , CAS No.544-85-4

CAS: 544-85-4 Cat. No.: D104743 分子式: C₃₂H₆₆ 分子量: 450.87 Beilstein Registry Number: 1783260 EC番号: 208-881-5

GRADE & PURITY Analytical standard, ≥99%(GC)

Synonyms

DOTRIACONTANE|n-Dotriacontane|544-85-4|Bicetyl|NSC 6361|EINECS 208-881-5|UNII-7KSV90RN23|BRN 1783260|7KSV90RN23|AI3-52367|NSC-6361|DTXSID5052202|CHEBI:36020|HSDB 8362|4-01-00-00595 (Beilstein Handbook Reference)|n-Dotriacontane 100 microg/mL in n-Hexane|C

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

DOTRIACONTANE | n-Dotriacontane | 544-85-4 | Bicetyl | NSC 6361 | EINECS 208-881-5 | UNII-7KSV90RN23 | BRN 1783260 | 7KSV90RN23 | AI3-52367 | NSC-6361 | DTXSID5052202 | CHEBI:36020 | HSDB 8362 | 4-01-00-00595 (Beilstein Handbook Reference) | n-Dotriacontane 100 microg/mL in n-Hexane | C

仕様と純度

analytical standard, ≥99%(GC)

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

純度

≥99%(GC)

名前と識別子

• パブケム・シド: 508811463
• カノニカル・スマイル: 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
• 異性体SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• WGKドイツ: 3
• RTECS: JT2360000
• 分子量: 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
    • 分類 Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 屈折率: 1.455
• 沸点（°C）: 467°C
• 融点（°C）: 69.7°C
• 分子量: 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

参考文献

1. Xinxin He, Xiaoya Liu, Jun Tang, Haifeng Dong, Yasuhiro Sugawara, Yan Jun Li, Zongmin Ma, Jun Liu.  (2023)  Effect of Preparation Processes on Structural Thermal Stability and Collision Energy Dissipation of Common Antirelaxation Coatings on Quartz Substrates.  LANGMUIR,      [PMID:37651224] [10.1021/acs.langmuir.3c01480]

2. Qing Du, Xin Shang, Yangyang Yuan, Xiong Su, Yanqiang Huang.  (2025)  Hydrocracking of Polyethylene to Gasoline-Range Hydrocarbons over a Ruthenium-Zeolite Bifunctional Catalyst System with Optimal Synergy of Metal and Acid Sites.  Catalysts,  15  (4): (335).  [PMID:] [10.3390/catal15040335]