trans-2-Hexene - ≥99%(GC) , CAS No.4050-45-7

CAS: 4050-45-7 Cat. No.: T162371 Fórmula: C₆H₁₂ Peso molecular: 84.16 Beilstein Registry Number: 1719020 Número EC: 223-752-3

GRADE & PURITY ≥99%(GC)

Synonyms

(E)-2-Hexene

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(E)-2-Hexene

Especificaciones y pureza

≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%(GC)

Nombres e identificadores

• Pubchem Sid: 504759668
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759668
• Sonrisas canónicas: CCCC=CC
• IUPAC Name: (E)-hex-2-ene
• InChIKey: RYPKRALMXUUNKS-HWKANZROSA-N
• INCHI: 1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
• Isómeros SMILES: CCC/C=C/C
• WGK Alemania: 3
• Número ONU: 3295
• Grupo de embalaje: II
• Peso molecular: 84.16
• Beilstein: 1719020
• Reaxy-Rn: 969179
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969179&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: 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

Propiedades químicas y físicas

• Solubilidad: Difficult to mix
• Sensibilidad: heat sensitive
• Índice de refracción: 1.39
• Punto de inflamación (°F): -13 °F
• Punto de inflamación (°C): -20°C(lit.)
• Punto de ebullición (°C): 68°C
• Peso molecular: 84.160 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 84.0939 Da
• Monoisotopic Mass: 84.0939 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 35.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1