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

CAS: 6596-40-3 Cat. No.: P160286 Peso molecular: 703.37 Beilstein Registry Number: 1807880 Número 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

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• WGK Alemania: 3
• PubChem CID: 81067
• Peso molecular: 703.37
• Beilstein: 1807880
• Reaxy-Rn: 1807879

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Clase Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 94 °C
• Peso molecular: 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

Referencias

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]