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Methylcyclopentane - 96%, high purity , CAS No.96-37-7
Basic Description
Synonyms
WLN: L5TJ A1 | NSC 24836 | NCGC00260428-01 | UNII-5G26CC1ASK | NSC24836 | NSC-24836 | BRN 1900214 | InChI=1/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H | CCRIS 6058 | FT-0629521 | EINECS 202-503-2 | Methylcyclopentane [UN2298] [Flammable liquid] | Cyclopentane, me
Specifications & Purity
≥96%
Shipped In
Normal
Product Description
Methylcyclopentane can undergo ring opening or ring enlargement to yield various hydrocarbons including branched and unbranched hexanes, cyclohexane and benzene.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Hydrocarbons
Class
Saturated hydrocarbons
Subclass
Cycloalkanes
Intermediate Tree Nodes
Not available
Direct Parent
Cycloalkanes
Alternative Parents
Not available
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Cycloalkane - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains).
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
Pubchem Sid
504751295
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504751295
IUPAC Name
methylcyclopentane
INCHI
InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKey
GDOPTJXRTPNYNR-UHFFFAOYSA-N
Smiles
CC1CCCC1
Isomeric SMILES
CC1CCCC1
WGK Germany
3
RTECS
GY4640000
UN Number
2298
Packing Group
II
Molecular Weight
84.16
Beilstein
1900214
Reaxy-Rn
1900214
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900214&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Insoluble in water; Degree of Solubility in water: 42 mg/l 25 °C; Miscible with Ether,Acetone,Ethanol
Freezing Point(°C)
-140 °C
Refractive Index
1.41
Flash Point(°F)
-29 °C
Flash Point(°C)
-29°C
Boil Point(°C)
72°C
Melt Point(°C)
-140 °C
Molecular Weight
84.160 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
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
33.300
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.
Zehao Han, Lun Pan, Kang Xue, Jisheng Xu, Qing Liu, Ying Xu, Zhouyang Shen, Xiangwen Zhang, Ji-Jun Zou.
(2024)
Relationship between molecular structure and dehydrogenation performance of cycloalkanes. FUEL,
355
(129471).
2.
Na Ji, Alazar Alemayehu, Hanyang Li, Poknam Ri, Xinyong Diao.
(2023)
Enhanced demethylation of aromatic ether to phenol over NiAl hydrotalcite-derived nickel sulfide catalyst. Molecular Catalysis,
538
(113016).
3.
Feifan Niu, Yuanmeng Liu, Xiaoning Wang, Xunqiu Wang.
(2021)
Separation of methylcyclopentane, cyclohexane and methylcyclohexane mixture by atmospheric distillation. JOURNAL OF CHEMICAL THERMODYNAMICS,
161
(106535).
4.
Zhenyu Lu, Xiaotian Lu, Ling Xia, Yanhui Zhong, Gongke Li, Yufei Hu.
(2021)
Cobalt doped nitrogenous porous carbon derived from covalent organic framework as cataluminescence catalyst for rapid determination of n-hexane in edible oil. TALANTA,
232
(122428).
5.
Wanbo Zhang, Ping Guo, Xingbo Ge, Jianfen Du, Zhouhua Wang.
(2021)
Influence factors on CO2 solubility in cycloalkanes and cycloalkane volume expansion: Temperature, pressure and molecular structure. JOURNAL OF MOLECULAR LIQUIDS,
332
(115859).
6.
Yiying Dai, Genkuo Nie, Si Gong, Li Wang, Lun Pan, Yunming Fang, Xiangwen Zhang, Ji-Jun Zou.
(2020)
Reduced graphene oxide enhanced emulsification for one-pot synthesis of high-density jet fuel. FUEL,
275
(117962).
7.
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).
8.
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).
9.
Mei Xiang, Dongfang Wu.
(2019)
Facile preparation of pore- and morphology-controllable ETS-10 zeolite with enhanced biomass hydrogenation activity. CHEMICAL ENGINEERING JOURNAL,
369
(180).
10.
Wenna Liu, Wanglu Jia, Qiang Wang, Jian Chen, Jinbu Li, Ping’an Peng.
(2024)
Influencing factors of hydrogen isotopic fractionation of light hydrocarbons during evaporation and implications. ORGANIC GEOCHEMISTRY,
198
(104894).
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10 Citations
F2122147