Isopentane

Base Information

• Chemical Name: Isopentane
• CAS No.: 78-78-4
• Deprecated CAS: 68923-44-4,92046-46-3,1326305-74-1,92046-46-3
• Molecular Formula: C5H12
• Molecular Weight: 72.1503
• Hs Code.: 2901100000
• ICSC Number: 1153
• NSC Number: 119476
• UN Number: 1265
• UNII: ZH67814I0O
• DSSTox Substance ID: DTXSID8025468
• Nikkaji Number: J4.222F
• Wikipedia: Isopentane
• Wikidata: Q422703,Q83068916
• NCI Thesaurus Code: C63387
• Metabolomics Workbench ID: 54167
• ChEMBL ID: CHEMBL1797287
• Mol file: 78-78-4.mol

Synonyms:2-methylbutane;isopentane

Chemical Property of Isopentane

Chemical Property:

• Appearance/Colour: colourless liquid with a characteristic smell
• Melting Point: -160 °C
• Refractive Index: n20/D 1.354(lit.)
• Boiling Point: 26.2 °C at 760 mmHg
• Flash Point: -51 °C
• PSA: 0.00000
• Density: 0.647 g/cm³
• LogP: 2.05240
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 72.093900383
• Heavy Atom Count: 5
• Complexity: 14
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CCC(C)C
• 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 Isopentane

There total 383 articles about Isopentane 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: 16.7%

methanol (67-56-1) → 2,4-dimethylpentane (108-08-7) + 2,3-dimethyl pentane (565-59-3) + Isobutane (75-28-5,40921-86-6) + methylbutane (78-78-4) + 3-methylpentane (96-14-0) + 2-Methylpentane (107-83-5) + 2,3-dimethylbutane (79-29-8) + triptane (464-06-2) + 1,2,4,5-tetramethylbenzene (95-93-2) + 1,2,3,5-Tetramethylbenzene (527-53-7) + pentamethylbenzene, (700-12-9) + Hexamethylbenzene (87-85-4)

Guidance literature:

With isopropyl alcohol; indium (III) iodide; at 200 ℃; for 2 - 3h;

Reference yield: 10.7%

methanol (67-56-1) → Isobutane (75-28-5,40921-86-6) + methylbutane (78-78-4) + 3-methylpentane (96-14-0) + 2-Methylpentane (107-83-5) + 2,3-dimethylbutane (79-29-8) + triptane (464-06-2) + pentamethylbenzene, (700-12-9) + Hexamethylbenzene (87-85-4)

Guidance literature:

With isopropyl alcohol; indium (III) iodide; at 200 ℃; for 2 - 3h; Product distribution / selectivity;

Reference yield: 5.0%

methanol (67-56-1) + Isobutane (75-28-5,40921-86-6) → methylbutane (78-78-4) + 2,3-dimethylbutane (79-29-8) + triptane (464-06-2) + pentamethylbenzene, (700-12-9) + Hexamethylbenzene (87-85-4)

Guidance literature:

With adamantane; indium (III) iodide; at 200 ℃; for 12h; Product distribution / selectivity;

upstream raw materials:

3-methyl-butan-2-one

triethylsilane

neopentyl chloride

1-amino-3-methylbutane

Downstream raw materials:

2,8-dimethylnonan-5-one

trimethylsiloxyethene

2,4-dimethylpentane

triptane

Refernces

• 1、 Bates et al.. "". . p. 147. Retrieved 1942.
• 2、 Setiabudi,Jalil,Triwahyono. "Ir/Pt-HZSM5 for n-pentane isomerization: Effect of iridium loading on the properties and catalytic activity". . p. 128 - 135. Retrieved 2012.
• 3、 Roberts,Coraor. "". . p. 3586. Retrieved 1952.
• 4、 Mavity et al.. "-". . p. 2374 - 2379. Retrieved 1948.
• 5、 Park. "". . p. 107,108. Retrieved 1957.
• 6、 Song, Hua,Wang, Na,Song, Hua-Lin,Li, Feng. "La-Ni modified S2O82-/ZrO2-Al2O3 catalyst in n-pentane hydroisomerization". . p. 61 - 64. Retrieved 2015.
• 7、 Machynskyy, Ostap,Kemnitz, Erhard,Karpinski, Zbigniew. "Aluminum fluoride-supported platinum and palladium as highly efficient catalysts of n-pentane hydroisomerization". . p. 592 - 602. Retrieved 2014.
• 8、 Peralez, Eric,Negrel, Jean-Claude,Chanon, Michel. "New Perspectives in the Formation of the Grignard Reagent". . p. 5857 - 5860. Retrieved 1994.
• 9、 Straus,Grubbs. "alpha , beta -SUBSTITUTED BIS(CYCLOPENTADIENYL)TITANACYCLOBUTANES AND THEIR ROLE IN PRODUCTIVE METATHESIS.". . p. 9 - 25. Retrieved 1983.
• 10、 Karakanov, Edward A.,Zolotukhina, Anna V.,Ivanov, Andrey O.,Maximov, Anton L.. "Dendrimer-Encapsulated Pd Nanoparticles, Immobilized in Silica Pores, as Catalysts for Selective Hydrogenation of Unsaturated Compounds". . p. 358 - 381. Retrieved 2019/04/04.