GRADE & PURITY ≥99%(GC)

Synonyms

InChI=1/C7H14/c1-4-6-7(3)5-2/h4,7H,1,5-6H2,2-3H | M0302 | MFCD00039930 | EINECS 223-202-2 | 1-Hexene, 4-methyl- | AKOS025295245 | 4-Methylhex-1-ene | DTXSID40863272 | UNII-BNE36XR1GQ | NSC 73926 | BNE36XR1GQ | FT-0692549 | SUWJESCICIOQHO-UHFFFAOYSA-N | (+

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

InChI=1/C7H14/c1-4-6-7(3)5-2/h4, 7H, 1, 5-6H2, 2-3H | M0302 | MFCD00039930 | EINECS 223-202-2 | 1-Hexene, 4-methyl- | AKOS025295245 | 4-Methylhex-1-ene | DTXSID40863272 | UNII-BNE36XR1GQ | NSC 73926 | BNE36XR1GQ | FT-0692549 | SUWJESCICIOQHO-UHFFFAOYSA-N | (+

Especificaciones y pureza

≥99.0%(GC)

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

≥99%(GC)

Nombres e identificadores

• Sonrisas canónicas: CCC(C)CC=C
• IUPAC Name: 4-methylhex-1-ene
• InChIKey: SUWJESCICIOQHO-UHFFFAOYSA-N
• INCHI: 1S/C7H14/c1-4-6-7(3)5-2/h4,7H,1,5-6H2,2-3H3
• Isómeros SMILES: CCC(C)CC=C
• WGK Alemania: 3
• Peso molecular: 98.19
• Reaxy-Rn: 1719189
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719189&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Clase Unsaturated hydrocarbons
      • Subclass Unsaturated aliphatic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: Unsaturated hydrocarbons
• Subclass: Unsaturated aliphatic hydrocarbons
• Intermediate Tree Nodes: Not available
• Direct Parent: Unsaturated aliphatic hydrocarbons
• Alternative Parents: Alkenes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Unsaturated aliphatic hydrocarbon - Olefin - Alkene - Acyclic olefin - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds.
• 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

• Índice de refracción: 1.401
• Punto de inflamación (°F): 14 °F
• Punto de inflamación (°C): -10°C
• Punto de ebullición (°C): 86-88 °C
• Peso molecular: 98.190 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 98.1096 Da
• Monoisotopic Mass: 98.1096 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1