Pentane

Base Information

• Chemical Name: Pentane
• CAS No.: 109-66-0
• Deprecated CAS: 8031-35-4,2063998-93-4
• Molecular Formula: C5H12
• Molecular Weight: 72.1503
• Hs Code.: 2930909019
• European Community (EC) Number: 203-692-4,926-217-9,927-826-2
• ICSC Number: 0534
• NSC Number: 72415
• UN Number: 1265
• UNII: 4FEX897A91
• DSSTox Substance ID: DTXSID2025846
• Nikkaji Number: J15I
• Wikipedia: Pentane
• Wikidata: Q150429,Q83048341,Q83051837,Q83050152
• Metabolomics Workbench ID: 5278
• ChEMBL ID: CHEMBL16102
• Mol file: 109-66-0.mol

Synonyms:n-pentane;pentane

Chemical Property of Pentane

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 527mmHg at 25°C
• Melting Point: -130 °C
• Refractive Index: n20/D 1.358
• Boiling Point: 35.2 °C at 760 mmHg
• Flash Point: -57 °F
• PSA: 0.00000
• Density: 0.626 g/cm³
• LogP: 2.19650
• Water Solubility.: insoluble
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 72.093900383
• Heavy Atom Count: 5
• Complexity: 7.5
• Transport DOT Label: Flammable Liquid

Purity/Quality:

95%,98% ^*data from raw suppliers

Safty Information:

• Pictogram(s): F+,Xn,F,N
• Hazard Codes: F+:Highly flammable
• Statements: R12:; R51/53:; R65:; R66:; R67:
• Safety Statements: S16:; S29:; S33:; S61:; S62:; S9:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CCCCC
• Recent EU Clinical Trials: PERMIXON? 160 mg hard capsule versus placebo in the treatment of
• Inhalation Risk: A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: If swallowed the substance easily enters the airways and could result in aspiration pneumonitis. Inhalation of high concentrations of the vapour may cause depression of the central nervous system.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking.

Technology Process of Pentane

There total 528 articles about Pentane 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:

2-Methylthiophene (554-14-3) → 2-methylthiolane (1795-09-1) + 1-penten (109-67-1) + pentane (109-66-0,8031-35-4,9078-70-0) + 2-pentene (109-68-2)

Guidance literature:

With hydrogen; molybdenum (IV) sulfide; In n-heptane; at 300 ℃; under 30002.4 Torr; Rate constant; Mechanism;

Reference yield:

1,1-dipentyloxyethane (13002-08-9) → pentanal (110-62-3) + decane (124-18-5) + 1-ethoxypentane (17952-11-3) + 1-pentyl acetate (628-63-7) + acetaldehyde (75-07-0,9002-91-9) + pentane (109-66-0,8031-35-4,9078-70-0)

Guidance literature:

With di-tert-butyl peroxide; at 150 ℃; Product distribution; Kinetics; Mechanism; termperature 120 - 150 deg C, E(activ.), preexponential factors and velocity const.;

Reference yield:

2-Methylthiophene (554-14-3) → 2-methylthiolane (1795-09-1) + hydrogen sulfide (7783-06-4) + pentane (109-66-0,8031-35-4,9078-70-0)

Guidance literature:

at 400 ℃; under 625182 - 786994 Torr; Hydrogenation;

upstream raw materials:

pyridine

furfural

n-butyllithium

butyl methyl ether

Downstream raw materials:

Adipic acid

pent-2-enoic acid

3-pentenoic acid

2-methylbut-3-enoic acid

Refernces

• 1、 Courtot, Pierre,Pichon, Roger,Salauen, Jean-Yves. "Photoassisted Isomerisation of Olefins by Platinum Complexes". . p. 542 - 543. Retrieved 1981.
• 2、 Frey. "-". . p. 5005. Retrieved 1958.
• 3、 Tew, Min Wei,Janousch, Markus,Huthwelker, Thomas,Van Bokhoven, Jeroen A.. "The roles of carbide and hydride in oxide-supported palladium nanoparticles for alkyne hydrogenation". . p. 45 - 54. Retrieved 2011.
• 4、 Sarkany, Antal. "Homologation of Small Alkanes on Pt, Pd and Ni Catalysts. Contribution of Intermediate Carbenes to Skeletal Isomerisation". . p. 103 - 108. Retrieved 1986.
• 5、 Graff, James L.,Wrighton, Mark S.. "Photochemistry and Photocatalytic Activity of a Polynuclear Metal Carbonyl Hydride: Dodecacarbonyltetrahydridotetraruthenium". . p. 2123 - 2125. Retrieved 1980.
• 6、 Gao, Fangfang,Liu, Hailong,Hu, Xun,Chen, Jing,Huang, Zhiwei,Xia, Chungu. "Selective hydrogenolysis of furfuryl alcohol to 1,5- and 1,2-pentanediol over Cu-LaCoO3 catalysts with balanced Cu0-CoO sites". . p. 1711 - 1723. Retrieved 2018.
• 7、 Sargent,Buchman,Farquhar. "". . p. 2693. Retrieved 1942.
• 8、 Lausarot, P. Michelin,Vaglio, G. A.,Valle, M.. "HYDROGENATION OF PENTYNES WITH Rh4(CO)12 AND Rh2(CO)4Cl2 IN SOLUTION AND ANCHORED ON Al2O3". . p. 249 - 256. Retrieved 1981.
• 9、 Sitthisa, Surapas,Pham, Trung,Prasomsri, Teerawit,Sooknoi, Tawan,Mallinson, Richard G.,Resasco, Daniel E.. "Conversion of furfural and 2-methylpentanal on Pd/SiO2 and Pd-Cu/SiO2 catalysts". . p. 17 - 27. Retrieved 2011.
• 10、 Suzuki, Takashi,Tanaka, Katsumi,Toyoshima, Isamu,Okuhara, Toshio,Tanaka, Ken-ichi. "Hydrogenation of Conjugated Dienes and Isomerization of Butenes on CdO, Co3O4 and Cr2O3". . p. 1213 - 1226. Retrieved 1987.