Methylcyclopentane

Base Information

• Chemical Name: Methylcyclopentane
• CAS No.: 96-37-7
• Molecular Formula: C6H12
• Molecular Weight: 84.1613
• Hs Code.: 2902 19 00
• European Community (EC) Number: 202-503-2
• NSC Number: 24836
• UN Number: 2298
• UNII: 5G26CC1ASK
• DSSTox Substance ID: DTXSID3025590
• Nikkaji Number: J23.246G
• Wikipedia: Methylcyclopentane
• Wikidata: Q412979
• Metabolomics Workbench ID: 44939
• ChEMBL ID: CHEMBL30940
• Mol file: 96-37-7.mol

Synonyms:Cyclopentane, methyl-;NSC 24836;Methylpentamethylene;

Chemical Property of Methylcyclopentane

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 232.8 mm Hg ( 37.7 °C)
• Melting Point: -142.4 °C
• Refractive Index: n20/D 1.409(lit.)
• Boiling Point: 73.483 °C at 760 mmHg
• Flash Point: -23.889 °C
• PSA: 0.00000
• Density: 0.774 g/cm³
• LogP: 2.19650
• Storage Temp.: 0-6°C
• Solubility.: In methanol, g/L: 380 at 5 °C, 415 at 10 °C, 500 at 15 °C, 595 at 20 °C, 740 at 25 °C, 1,100 at 30 °C. Miscible at higher temperatures (Kiser et al., 1961).
• Water Solubility.: 41.8mg/L(25 oC)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 84.093900383
• Heavy Atom Count: 6
• Complexity: 33.3
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Methylcyclopentane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,F
• Hazard Codes: F,Xn
• Statements: 11-22-36/37/38-65
• Safety Statements: 16-26-33-36-62

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC1CCCC1
• Uses: Methylcyclopentane is used as an extractive solvent, an azeotropic distillation agent, and in organic synthesis. [Hawley] Methylcyclopentane can undergo ring opening or ring enlargement to yield various hydrocarbons including branched and unbranched hexanes, cyclohexane and benzene.

Technology Process of Methylcyclopentane

There total 310 articles about Methylcyclopentane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 8.0%

tetramethylsilane (75-76-3) + cyclohexene (110-83-8) → methyl-cyclopentane (96-37-7) + cyclohexane (110-82-7,25012-93-5) + 1,1-dimethylcyclohexane (590-66-9) + methyl cyclohexane (82166-21-0)

Guidance literature:

With aluminum tri-bromide; trifluoroacetic acid; In dichloromethane; Further byproducts given;

DOI:10.1039/c39800000748

Reference yield: 4.0%

tetramethylsilane (75-76-3) + cyclohexene (110-83-8) → methyl-cyclopentane (96-37-7) + cyclohexane (110-82-7,25012-93-5) + 1,1-Dimethylcyclopentane (1638-26-2) + 1,1-dimethylcyclohexane (590-66-9) + methyl cyclohexane (82166-21-0)

Guidance literature:

With aluminum tri-bromide; trifluoroacetic acid; In dichloromethane; Product distribution;

DOI:10.1039/c39800000748

Reference yield:

lignin acetosolv type → hexane (110-54-3) + n-heptane (142-82-5) + Cyclopentane (287-92-3) + methyl-cyclopentane (96-37-7) + cyclohexane (110-82-7,25012-93-5) + ethyl-cyclohexane (1678-91-7) + propylcyclohexane (1678-92-8) + ethylbenzene (100-41-4,27536-89-6) + phenylpropane (103-65-1) + methyl cyclohexane (82166-21-0) + toluene (108-88-3,15644-74-3,16713-13-6) + pentane (109-66-0,8031-35-4,9078-70-0) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

lignin acetosolv type; With 5% palladium on Al₂O₃; hydrogen; In water; at 25 - 310 ℃; for 1h; under 37503.8 Torr; Autoclave;

With hydrogen; In decalin; at 25 - 385 ℃; for 6h; under 37503.8 Torr; Autoclave;

upstream raw materials:

1,2,3,4-tetrahydroisoquinoline

dibenzofuran

3-methyl-cyclopentanone

p-methylcyclohexanol

Downstream raw materials:

1-ethyl-3,5-dimethylcyclohexane

1-methylcyclopentanecarbonyl chloride

1-tert-butyl-4-(1-methyl-cyclopentyl)-benzene

1-methyl-2-ethylcyclohexane

Refernces

• 1、 Lien et al.. "". . p. 351. Retrieved 1952.
• 2、 Chen, Guanyi,Diao, Xinyong,Ji, Na,Jia, Zhichao,Li, Changzhi,Li, Xinxin,Liu, Caixia,Liu, Qingling,Lu, Xuebin,Ma, Longlong,Song, Chunfeng,Wang, Shurong,Zhao, Yujun. "Highly Selective Hydrodeoxygenation of Lignin to Naphthenes over Three-Dimensional Flower-like Ni2P Derived from Hydrotalcite". . p. 1338 - 1356. Retrieved 2022/02/07.
• 3、 Hitam, Che Ku Nor Liana Che Ku,Izan, Siti Maryam,Jalil, Aishah Abdul,Nabgan, Walid. "Influence of Nitrate and Phosphate on Silica Fibrous Beta Zeolite Framework for Enhanced Cyclic and Noncyclic Alkane Isomerization". . p. 1723 - 1735. Retrieved 2020/02/28.