Pentacontane - ≥98% , CAS No.6596-40-3

CAS: 6596-40-3 Cat. No.: P160286 Formula: C₅₀H₁₀₂ Peso molecolare: 703.37 Beilstein Registry Number: 1807880 Numero EC: 229-534-4 PubChem CID: 81067

GRADE & PURITY ≥98%

Synonyms

Pentacontane, analytical standard | T72792 | P0964 | Q11337546 | EINECS 229-534-4 | FT-0747564 | Pentacontane; n-Pentacontane | DTXSID70216171 | n-Pentacontane | MFCD00042907 | Pentacontane | Pentacontane, >=98.0% (GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

Pentacontane, analytical standard | T72792 | P0964 | Q11337546 | EINECS 229-534-4 | FT-0747564 | Pentacontane; n-Pentacontane | DTXSID70216171 | n-Pentacontane | MFCD00042907 | Pentacontane | Pentacontane, >=98.0% (GC)

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• IUPAC Name: pentacontane
• InChIKey: PFLUOWJPZLHUEA-UHFFFAOYSA-N
• INCHI: 1S/C50H102/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-50H2,1-2H3
• Isomeri SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• WGK Germania: 3
• PubChem CID: 81067
• Peso molecolare: 703.37
• Beilstein: 1807880
• Reaxy-Rn: 1807879

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: 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Punto di fusione (°C): 94 °C
• Peso molecolare: 703.300 g/mol
• XLogP3: 26.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 47
• Exact Mass: 702.798 Da
• Monoisotopic Mass: 702.798 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 50
• Formal Charge: 0
• Complexity: 488.000
• 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. Nianyue Zhang, Shuilong Kang, Meng Zhang, Sifan You, Xiang Hu, Guangyuan Feng, Kunal S. Mali, Steven De Feyter, Oleksandr Ivasenko, Lifeng Chi, Yuan Fang.  (2025)  Toward Unified Mechanism of Bias-Dependent Switching in Reactive Self-Assembly Systems.  ACS Nano,      [PMID:40607774] [10.1021/acsnano.5c03607]