Methylcyclopentane - analytical standard, ≥99.5%(GC) , CAS No.96-37-7

CAS: 96-37-7 Cat. No.: M101588 Molecular Weight: 84.16 Beilstein Registry Number: 1900214 EC Number: 202-503-2

GRADE & PURITY Analytical standard, ≥99.5%(GC)

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

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

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

analytical standard, ≥99.5%(GC)

Storage

Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Purity

≥99.5%(GC)

Names and Identifiers

• Canonical Smiles: CC1CCCC1
• IUPAC Name: methylcyclopentane
• InChIKey: GDOPTJXRTPNYNR-UHFFFAOYSA-N
• INCHI: 1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3
• 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Saturated hydrocarbons
      • Subclass Cycloalkanes

• 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.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• 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

References

1. Zehao Han, Lun Pan, Kang Xue, Jisheng Xu, Qing Liu, Ying Xu, Zhouyang Shen, Xiangwen Zhang, Ji-Jun Zou.  (2023)  Relationship between molecular structure and dehydrogenation performance of cycloalkanes.  FUEL,      [PMID:] [10.1016/j.fuel.2023.129471]

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,      [PMID:] [10.1016/j.mcat.2023.113016]

3. Feifan Niu, Yuanmeng Liu, Xiaoning Wang, Xunqiu Wang.  (2021)  Separation of methylcyclopentane, cyclohexane and methylcyclohexane mixture by atmospheric distillation.  JOURNAL OF CHEMICAL THERMODYNAMICS,      [PMID:] [10.1016/j.jct.2021.106535]

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,      [PMID:34074414] [10.1016/j.talanta.2021.122428]

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,      [PMID:] [10.1016/j.molliq.2021.115859]

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,      [PMID:] [10.1016/j.fuel.2020.117962]

7. Lele Jin, Wenzhi Li, Qiying Liu, Longlong Ma, Chao Hu, Ajibola T. Ogunbiyi, Mingwei Wu, Qi Zhang.  (2019)  High performance of Mo-promoted Ir/SiO2 catalysts combined with HZSM-5 toward the conversion of cellulose to C5/C6 alkanes.  BIORESOURCE TECHNOLOGY,      [PMID:31796376] [10.1016/j.biortech.2019.122492]

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,      [PMID:] [10.1016/j.fuproc.2019.106161]

9. Mei Xiang, Dongfang Wu.  (2019)  Facile preparation of pore- and morphology-controllable ETS-10 zeolite with enhanced biomass hydrogenation activity.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2019.03.058]

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,      [PMID:] [10.1016/j.orggeochem.2024.104894]