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2,3-Dimethylbutane - analytical standard,≥99.9%(GC), high purity , CAS No.79-29-8
Basic Description
Synonyms
2,3-DIMETHYLBUTANE | 79-29-8 | Diisopropyl | Biisopropyl | Butane, 2,3-dimethyl- | 1,1,2,2-Tetramethylethane | (CH3)2CHCH(CH3)2 | DTXSID9025112 | 68ISQ7A432 | NSC-24837 | HSDB 76 | CCRIS 6020 | EINECS 201-193-6 | NSC 24837 | UN2457 | diisopropyl- | UNII-68ISQ7A432 | Butane, 2,3-dimethyl-;
Specifications & Purity
analytical standard, ≥99.9%(GC)
Shipped In
Normal
Grade
analytical standard
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
2,3-dimethylbutane
INCHI
InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3
InChIKey
ZFFMLCVRJBZUDZ-UHFFFAOYSA-N
Smiles
CC(C)C(C)C
Isomeric SMILES
CC(C)C(C)C
WGK Germany
3
RTECS
EJ9350000
UN Number
2457
Packing Group
II
Molecular Weight
86.18
Beilstein
1730737
Reaxy-Rn
1730737
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730737&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.374-1.376
Flash Point(°F)
-20.2 °F
Flash Point(°C)
-29 °C
Boil Point(°C)
58°C
Melt Point(°C)
-129°C
Molecular Weight
86.180 g/mol
XLogP3
3.400
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
21.000
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.
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).
2.
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).
3.
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).
4.
Yixin Kuang, Suxin Zhou, Cheng Mao, Xiaoying Feng, Juan Zheng, Gangfeng Ouyang.
(2025)
Cascading in-situ grown UiO-66 and alternative calix[n]arenes for high-resolution isomer separation. SEPARATION AND PURIFICATION TECHNOLOGY,
354
(129313).
5.
Jiayan Zhu, Lin Zhang, Zongjian Liu, Wenxia Zhai, Zhengfei Ma, Qun Cui, Haiyan Wang.
(2024)
Delayed linker addition (DLA) synthesis of dual linker ZIF-8 for separation mono- and di-branched isomers of hexane. SEPARATION AND PURIFICATION TECHNOLOGY,
350
(127947).
6.
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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6 Citations
J2120408