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2-methylpentane - 98%, high purity , CAS No.107-83-5
Basic Description
Synonyms
NSC66496 | NSC-66496 | i-hexane | Isohexane, mixture of isomeric branched chain hexanes, < 5% n-hexane | Q209445 | UNII-49IB0U6MLD | DTXCID509143 | 1,1-Dimethylbutane | MFCD02179311 | 2-METHYLPENTANE | 2-Methyl-pentane | (CH3)2CH(CH2)2CH3 | 2-Methyl penta
Specifications & Purity
≥98%
Shipped In
Normal
Product Description
Product Application：
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.
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-methylpentane
INCHI
InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
InChIKey
AFABGHUZZDYHJO-UHFFFAOYSA-N
Smiles
CCCC(C)C
Isomeric SMILES
CCCC(C)C
WGK Germany
2
RTECS
SA2985000
UN Number
1208
Packing Group
II
Molecular Weight
86.17
Beilstein
1730735
Reaxy-Rn
1730735
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730735&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Miscible with alcohol, ether, acetone and chloroform. Immiscible with water
Refractive Index
1.37-1.372
Flash Point(°F)
-9.4℉
Flash Point(°C)
-23 ℃
Boil Point(°C)
62°C
Melt Point(°C)
-154°C
Molecular Weight
86.180 g/mol
XLogP3
3.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
2
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
21.200
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.
Chang Li,Hanbing Jia,Mingyue Shen,Yuting Wang,Shaoping Nie,Yi Chen,Yongqiang Zhou,Yuanxing Wang,Mingyong Xie.
(2015-10-20)
Antioxidants Inhibit Formation of 3-Monochloropropane-1,2-diol Esters in Model Reactions.. Journal of agricultural and food chemistry,
63
((44)):
(9850-9854).
2.
Yin Xie, Xiaowei Xu, Yan Cui, Liang Qiao, Kebin Chi, Dejun Shi, Yang Bai, Zhijie Wu, Shengbao He.
(2023)
Colloidal chemistry of MAPbI3 perovskite ink using 2-methoxyethanol as the solvent. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,
677
(132406).
3.
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).
4.
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).
5.
Lele Jin, Wenzhi Li, Qiying Liu, Longlong Ma, Chao Hu, Ajibola T. Ogunbiyi, Mingwei Wu, Qi Zhang.
(2020)
High performance of Mo-promoted Ir/SiO2 catalysts combined with HZSM-5 toward the conversion of cellulose to C5/C6 alkanes. BIORESOURCE TECHNOLOGY,
297
(122492).
6.
Lele Jin, Wenzhi Li, Qiying Liu, Longlong Ma, Song Li, Yang Liu, Baikai Zhang, Qi Zhang.
(2019)
Catalytic conversion of cellulose to C5/C6 alkanes over Ir-VOx/SO2 combined with HZSM-5 in n-dodecane/water system. FUEL PROCESSING TECHNOLOGY,
196
(106161).
7.
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).
8.
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).
9.
Xue Xiong,Meiling Qi.
(2018-08-14)
Hexagonal boron nitride stationary phase for gas chromatography.. Journal of chromatography. A,
1567
(191-197).
10.
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).
11.
Xue Cao, Ruixin Qin, Shiyi Zhang, Weikeng Luo, Jiaxiang Qin, Xiao Yan, Fengshan Cai, Qilong Liao, Yunjiang Yu, Jing Zheng.
(2024)
Bisphenol pollutants bind with human hair keratin: Combining evidence from fluorescence spectroscopy and molecular docking. SCIENCE OF THE TOTAL ENVIRONMENT,
957
(177533).
12.
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).
13.
Xuyao Tang, Yang Wang, Junwei Cui, Ke Zhang, Shengshan Bi.
(2024)
Dynamic viscosity, interfacial tension and diffusion coefficient of n-hexane, cyclohexane, 2-methylpentane with dissolved CO2. JOURNAL OF CHEMICAL THERMODYNAMICS,
199
(107360).
14.
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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14 Citations
J2323613
