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2,2-Dimethylbutane - Standard for GC,≥99.5%(GC), high purity , CAS No.75-83-2
Basic Description
Synonyms
2,2-DIMETHYLBUTANE | Neohexane | 75-83-2 | Butane, 2,2-dimethyl- | 2,2-Dimethyl-butane | DTXSID4025111 | 07L56L3MP2 | NSC-74126 | HSDB 75 | CCRIS 6019 | EINECS 200-906-8 | NSC 74126 | UNII-07L56L3MP2 | AI3-16043 | Butane,2-dimethyl- | ,2-DIMETHYLBUTANE | 2,2-Dimethylbutane, 99% | (CH3)3CC
Specifications & Purity
Standard for GC, ≥99.5%(GC)
Shipped In
Normal
Grade
Standard for GC
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Hydrocarbons
Class
Saturated hydrocarbons
Subclass
Alkanes
Intermediate Tree Nodes
Not available
Direct Parent
Branched alkanes
Alternative Parents
Not available
Molecular Framework
Aliphatic acyclic compounds
Substituents
Branched alkane - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.
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.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2,2-dimethylbutane
INCHI
InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3
InChIKey
HNRMPXKDFBEGFZ-UHFFFAOYSA-N
Smiles
CCC(C)(C)C
Isomeric SMILES
CCC(C)(C)C
WGK Germany
3
UN Number
1208
Packing Group
II
Molecular Weight
86.18
Beilstein
1730736
Reaxy-Rn
1730736
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730736&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.3675-1.3695
Flash Point(°F)
-20.2 °F
Flash Point(°C)
-48.℃
Boil Point(°C)
50°C
Melt Point(°C)
-100 °C
Molecular Weight
86.180 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
1
Exact Mass
86.1096 Da
Monoisotopic Mass
86.1096 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
29.800
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
1.
Ziqi Sun, Meiling Qi.
(2022)
High separation performance of carbon dioxide-based poly(ether-carbonate) copolymer for gas chromatographic analyses. JOURNAL OF CHROMATOGRAPHY A,
1682
(463493).
2.
Wenhe Yang, Xue Yang, Yuxuan Wang, Rujing Hou, Qihan Gong, Yichang Pan.
(2022)
Pervaporation separation of C6 alkane isomers by Al-bttotb membrane. JOURNAL OF MEMBRANE SCIENCE,
661
(120916).
3.
Ruijuan Duan, Meiling Qi.
(2021)
Amphiphilic triblock copolymer as the gas chromatographic stationary phase with high-resolution performance towards a wide range of isomers and the components of lemon essential oil. JOURNAL OF CHROMATOGRAPHY A,
1658
(462611).
4.
Xue Xiong, Meiling Qi.
(2020)
A novel column fabrication approach for capillary gas chromatography via a cross-linked organogel network with high stability and inertness. NEW JOURNAL OF CHEMISTRY,
44
(25):
(10621-10627).
5.
Yuan-Yuan Cui, Huan Yao, Cheng-Xiong Yang, Xiu-Ping Yan.
(2019)
In situ fabrication of microporous organic network coated capillary column for high resolution gas chromatographic separation of hydrocarbons. ELECTROPHORESIS,
40
(16-17):
(2186-2192).
6.
Lin Fan, Xiu-Ping Yan.
(2012)
Evaluation of isostructural metal–organic frameworks coated capillary columns for the gas chromatographic separation of alkane isomers. TALANTA,
99
(944).
7.
Xue Xiong,Meiling Qi.
(2018-08-14)
Hexagonal boron nitride stationary phase for gas chromatography.. Journal of chromatography. A,
1567
(191-197).
8.
Qian Yuan,Meiling Qi.
(2020-04-19)
Triptycene-based dicationic guanidinium ionic liquid: A novel stationary phase of high selectivity towards a wide range of positional and structural isomers.. Journal of chromatography. A,
1621
(461084-461084).
9.
Jing-ran Yu, Pan-pan Zhang, Jia-yu Ding, Yue-bin Liu, Wei-hai Lin, Wei Shao, Jia-jia He, Qihan Gong, Ming Xue.
(2024)
UiO-66/PIM-1 Mixed-Matrix Membrane for Hexane Isomer Separation. INORGANIC CHEMISTRY,
63
(28):
(13031-13038).
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9 Citations
H2405266