2-Methylhexane - ≥99%(GC) , CAS No.591-76-4

CAS: 591-76-4 Cat. No.: M158516 Peso molecular: 100.21 Beilstein Registry Number: 1696860 Número EC: 209-730-6

GRADE & PURITY ≥99%(GC)

Synonyms

Isoheptane

Storage

Room temperature,Desiccated,Cool

Shipped In

FedEx DG Service

Specifications

Sinónimos

Isoheptane

Especificaciones y pureza

≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated, Cool

Enviado en

FedEx DG Service

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

Pureza

≥99%(GC)

Nombres e identificadores

• Pubchem Sid: 488181388
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181388
• Sonrisas canónicas: CCCCC(C)C
• IUPAC Name: 2-methylhexane
• InChIKey: GXDHCNNESPLIKD-UHFFFAOYSA-N
• INCHI: 1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
• Isómeros SMILES: CCCCC(C)C
• WGK Alemania: 2
• RTECS: MO3871500
• Peso molecular: 100.21
• Beilstein: 1696860
• Reaxy-Rn: 1696856
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696856&ln=

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: Branched alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched alkane - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: insoluble in water.
• Índice de refracción: 1.38
• Punto de inflamación (°F): 30.2 °F
• Punto de inflamación (°C): -1 °C
• Punto de ebullición (°C): 90°C
• Punto de fusión (°C): -118 °C
• Peso molecular: 100.200 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 100.125 Da
• Monoisotopic Mass: 100.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 29.000
• 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. Yuan-Yuan Cui, Huan Yao, Cheng-Xiong Yang, Xiu-Ping Yan.  (2019)  In situ fabrication of microporous organic network coated capillary column for high resolution gas chromatographic separation of hydrocarbons.  ELECTROPHORESIS,      [PMID:30942493] [10.1002/elps.201800540]

2. Junlang Huo, Hao Lin, Yangyang Chen, Tongmei Ma, Jinhui Liang, Yaohong Zhao, Li Du.  (2025)  Dynamic regulation of ionomer/catalyst interface via alcohol coordination engineering: Toward high–efficiency proton and oxygen transport in proton exchange membrane fuel cells.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2025.238453]