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3,3-Dimethyl-1-butene - 96%,contains 50-100ppm BHT as stabilizer, high purity , CAS No.558-37-2
Basic Description
Synonyms
3,3-Dimethy-1-butene | MFCD00008853 | D1163 | EN300-36330 | Tox21_202256 | UNII-01ZB73D2KK | tert-Butylethene | 2,2-Dimethyl-3-butene | 3,3-Dimethylbutene | NCGC00256997-01 | DTXCID807211 | 3,3-Dimethyl-1-butene, >=98.5% (GC) | InChI=1/C6H12/c1-5-6(2,3)4/
Specifications & Purity
≥96%, contains 50-100ppm BHT as stabilizer
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
3,3-Dimethyl-1-butene oxidizes selectively to corresponding epoxide by chlorine promoted Ag(111) oxygen adatoms. It undergoes copolymerization with ethylene using a chain-walking Pd-diimine catalys
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
IUPAC Name
3,3-dimethylbut-1-ene
INCHI
InChI=1S/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3
InChIKey
PKXHXOTZMFCXSH-UHFFFAOYSA-N
Smiles
CC(C)(C)C=C
Isomeric SMILES
CC(C)(C)C=C
WGK Germany
3
UN Number
3295
Molecular Weight
84.16
Beilstein
1697101
Reaxy-Rn
1697101
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697101&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Not miscible or difficult to mix in water.
Sensitivity
Heat sensitive;Air sensitive
Refractive Index
1.375-1.378
Flash Point(°F)
17.6℉
Flash Point(°C)
-28℃
Boil Point(°C)
41°C
Melt Point(°C)
-115°C
Molecular Weight
84.160 g/mol
XLogP3
2.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
1
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
45.500
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
Citations of This Product
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1 Citations
L2319205