2-Methyl-2-heptene - ≥98% , CAS No.627-97-4

CAS: 627-97-4 Cat. No.: M472551 Fórmula: CH₃(CH₂)₃CH=C(CH₃)₂ Peso molecular: 112.21 Número CE: 211-022-7

GRADE & PURITY ≥98%

Synonyms

Hexene, dimethyl- | dimethylhexene | DTXSID40211774 | NSC 102776 | FT-0632649 | 2-METHYL-2-HEPTENE | EINECS 211-022-7 | 2-Methyl-2-heptene, 98% | 2-Heptene, 2-methyl- | 2-methyl-hept-2-ene | 2-Methylhept-2-ene | AKOS015912529 | NSC102776 | NSC-102776

Storage

Room temperature

Visão geral

Description

2-Methyl-2-heptene undergoes oxidation by singlet oxygen generated by the excitation of thiazine dyes cation to form hydroperoxides.2-Methyl-2-heptene was used in the functionalization of ethylene/5,7-dimethyl-1,6-diene copolymer with maleic anhydride via Alder Ene reaction.

Specifications

Sinónimos

Hexene, dimethyl- | dimethylhexene | DTXSID40211774 | NSC 102776 | FT-0632649 | 2-METHYL-2-HEPTENE | EINECS 211-022-7 | 2-Methyl-2-heptene, 98% | 2-Heptene, 2-methyl- | 2-methyl-hept-2-ene | 2-Methylhept-2-ene | AKOS015912529 | NSC102776 | NSC-102776

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

CCCCC=C(C)C

IUPAC Name

2-methylhept-2-ene

InChIKey

WEPNJTDVIIKRIK-UHFFFAOYSA-N

INCHI

1S/C8H16/c1-4-5-6-7-8(2)3/h7H,4-6H2,1-3H3

SMILES isoméricas

CCCCC=C(C)C

WGK Alemanha

3

Peso molecular

112.21

Reaxy-Rn

1732139

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732139&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Unsaturated hydrocarbons
• Subclass: Branched unsaturated hydrocarbons
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched unsaturated hydrocarbons
• Alternative Parents: Unsaturated aliphatic hydrocarbons Alkenes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched unsaturated hydrocarbon - Unsaturated aliphatic hydrocarbon - Olefin - Alkene - Acyclic olefin - Aliphatic acyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Ponto de inflamação (°F): 53.6 °F
• Ponto de inflamação (°C): 12 °C
• Peso molecular: 112.210 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 112.125 Da
• Monoisotopic Mass: 112.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 66.100
• 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