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2-Methyl-2-heptene - 98%, high purity , CAS No.627-97-4
Basic Description
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
Specifications & Purity
≥98%
Product Description
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.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Hydrocarbons
Class
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
Description
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.
Names and Identifiers
IUPAC Name
2-methylhept-2-ene
INCHI
InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h7H,4-6H2,1-3H3
InChIKey
WEPNJTDVIIKRIK-UHFFFAOYSA-N
Smiles
CCCCC=C(C)C
Isomeric SMILES
CCCCC=C(C)C
WGK Germany
3
Molecular Weight
112.21
Reaxy-Rn
1732139
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732139&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
53.6 °F
Flash Point(°C)
12 °C
Molecular Weight
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
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