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

CAS: 544-85-4 Cat. No.: D111490 Formula: C₃₂H₆₆ Peso molecolare: 450.87 Beilstein Registry Number: 1783260 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488181245
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181245
• Sorrisi canonici: 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
• Isomeri SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• WGK Germania: 3
• RTECS: JT2360000
• Peso molecolare: 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
    • Classe Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.455
• Punto di ebollizione (°C): 467°C
• Punto di fusione (°C): 69.7°C
• Peso molecolare: 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

Riferimenti

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]

Domande frequenti

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.