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3-Methyl-1-pentene - >98.0%(GC), high purity , CAS No.760-20-3
Basic Description
Synonyms
2-Vinylbutane | EN300-1826081 | 3-Methyl-1-pentene, 99% | FT-0616041 | DTXSID20870762 | FT-0616040 | 3-methylpentene-1 | MFCD00009339 | 3-METHYL-1-PENTENE | D91359 | M0575 | NSC 73909 | EINECS 212-076-4 | 3-Methylpent-1-ene | Ethene, trimer | LDTAOIUHUHHC
Specifications & Purity
≥98%(GC)
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Hydrocarbons
Class
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
Description
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.
Names and Identifiers
Pubchem Sid
504752405
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752405
IUPAC Name
3-methylpent-1-ene
INCHI
InChI=1S/C6H12/c1-4-6(3)5-2/h4,6H,1,5H2,2-3H3
InChIKey
LDTAOIUHUHHCMU-UHFFFAOYSA-N
Smiles
CCC(C)C=C
Isomeric SMILES
CCC(C)C=C
WGK Germany
3
UN Number
3295
Molecular Weight
84.16
Beilstein
1719110
Reaxy-Rn
1719110
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719110&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.3870
Flash Point(°F)
-16.6 °F
Flash Point(°C)
-27 °C
Boil Point(°C)
54 °C
Melt Point(°C)
-154℃
Molecular Weight
84.160 g/mol
XLogP3
2.700
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
37.300
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
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K2427529