2-Methyl-1,4-pentadiene - ≥99%(GC) , CAS No.763-30-4

CAS: 763-30-4 Cat. No.: M158232 Fórmula: C₆H₁₀ Peso molecular: 82.15 Número EC: 212-109-2

GRADE & PURITY ≥99%(GC)

Synonyms

4-01-00-01020 (Beilstein Handbook Reference) | 2-Methyl-1,4-pentadiene, 99% | InChI=1/C6H10/c1-4-5-6(2)3/h4H,1-2,5H2,3H | DRWYRROCDFQZQF-UHFFFAOYSA-N | T72918 | 2-METHYL-1,4-PENTADIENE | 1,4-Pentadiene, 2-methyl- | UNII-TG8TS4U1ST | M0616 | AKOS015912615

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-01-00-01020 (Beilstein Handbook Reference) | 2-Methyl-1,4-pentadiene, 99% | InChI=1/C6H10/c1-4-5-6(2)3/h4H,1-2,5H2,3H | DRWYRROCDFQZQF-UHFFFAOYSA-N | T72918 | 2-METHYL-1,4-PENTADIENE | 1,4-Pentadiene, 2-methyl- | UNII-TG8TS4U1ST | M0616 | AKOS015912615

Especificaciones y pureza

≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥99%(GC)

Nombres e identificadores

• Sonrisas canónicas: CC(=C)CC=C
• IUPAC Name: 2-methylpenta-1,4-diene
• InChIKey: DRWYRROCDFQZQF-UHFFFAOYSA-N
• INCHI: 1S/C6H10/c1-4-5-6(2)3/h4H,1-2,5H2,3H3
• Isómeros SMILES: CC(=C)CC=C
• RTECS: RZ2473500
• Peso molecular: 82.15
• Reaxy-Rn: 1697214
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697214&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Clase Unsaturated hydrocarbons
      • Subclass Branched unsaturated hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: Unsaturated hydrocarbons
• Subclass: Branched unsaturated hydrocarbons
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched unsaturated hydrocarbons
• Alternative Parents: Alkadienes Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched unsaturated hydrocarbon - Alkadiene - Unsaturated aliphatic hydrocarbon - Olefin - Acyclic olefin - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch.
• 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: Air Sensitive
• Índice de refracción: 1.41
• Punto de inflamación (°F): -3°C(lit.)
• Punto de inflamación (°C): -3°C(lit.)
• Punto de ebullición (°C): 57°C
• Peso molecular: 82.140 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 82.0783 Da
• Monoisotopic Mass: 82.0783 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 60.400
• 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