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2,3,3-Trimethyl-1-butene - 95%, high purity , CAS No.594-56-9
Basic Description
Synonyms
MFCD00008850 | InChI=1/C7H14/c1-6(2)7(3,4)5/h1H2,2-5H | D92378 | DTXSID80208123 | NSC73922 | NSC-73922 | AKOS009159135 | EINECS 209-845-1 | EN300-124692 | (CH3)3CC(CH3)=CH2 | 2,3-Trimethyl-1-butene | AUYRUAVCWOAHQN-UHFFFAOYSA-N | SY051765 | 2,3,3-TRIMETHY
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
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
2,3,3-trimethylbut-1-ene
INCHI
InChI=1S/C7H14/c1-6(2)7(3,4)5/h1H2,2-5H3
InChIKey
AUYRUAVCWOAHQN-UHFFFAOYSA-N
Smiles
CC(=C)C(C)(C)C
Isomeric SMILES
CC(=C)C(C)(C)C
WGK Germany
3
PubChem CID
11669
Molecular Weight
98.19
Beilstein
1221
Reaxy-Rn
1733581
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.402
Flash Point(°F)
1.4 °F
Flash Point(°C)
-17°C
Boil Point(°C)
78-80 °C
Molecular Weight
98.190 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
1
Exact Mass
98.1096 Da
Monoisotopic Mass
98.1096 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
72.500
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
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A2422147