Isobutylcyclohexane

Base Information

• Chemical Name: Isobutylcyclohexane
• CAS No.: 1678-98-4
• Molecular Formula: C10H20
• Molecular Weight: 140.269
• Hs Code.: 2902199090
• European Community (EC) Number: 216-839-2
• NSC Number: 74187
• UNII: WC42CWY8XP
• DSSTox Substance ID: DTXSID80168374
• Nikkaji Number: J110.526D
• Wikidata: Q81977179
• Mol file: 1678-98-4.mol

Synonyms:ISOBUTYLCYCLOHEXANE;1678-98-4;Cyclohexane, isobutyl-;2-methylpropylcyclohexane;Cyclohexane, (2-methylpropyl)-;ISOBUTYLCYCLOBUTANE;(2-methylpropyl)cyclohexane;EINECS 216-839-2;NSC-74187;i-Butylcyclohexane;NSC74187;WC42CWY8XP;(2-Methyl-propyl)-cyclohexane;DTXSID80168374;MFCD00013767;NSC 74187;AKOS024333995;FT-0627370;I0259;D91110

Chemical Property of Isobutylcyclohexane

Chemical Property:

• Melting Point: -95°C
• Refractive Index: 1.4380-1.4400
• Boiling Point: 171.3°Cat760mmHg
• Flash Point: 48.3°C
• PSA: 0.00000
• Density: 0.79g/cm³
• LogP: 3.61280
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 140.156500638
• Heavy Atom Count: 10
• Complexity: 78

Purity/Quality:

99% ^*data from raw suppliers

Isobutylcyclohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC(C)CC1CCCCC1

Technology Process of Isobutylcyclohexane

There total 16 articles about Isobutylcyclohexane 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: 93.0%

phenyl isopropyl ketone (611-70-1) → isobutylcyclohexane (1678-98-4)

Guidance literature:

With rhodium(III) chloride; hydrogen; In 2,2,2-trifluoroethanol; at 100 ℃; for 10h; under 37503.8 Torr; chemoselective reaction;

DOI:10.1039/d1cy01504d

Reference yield: 29.0%

verbenene (4080-46-0,23733-90-6,30460-81-2) → 1-phenyl-2-methylpropane (538-93-2) + cis-1-isopropyl-4-methyl-cyclohexane (6069-98-3) + isobutylcyclohexane (1678-98-4) + cis-o-menthane (6070-02-6,6070-03-7,16580-23-7,19489-02-2,19489-03-3) + trans-o-menthane (6070-02-6,6070-03-7,16580-23-7,19489-02-2,19489-03-3) + o-mentha-1(7),5,8-triene (76786-83-9)

Guidance literature:

In benzene; at 380 - 390 ℃; Product distribution; hydrogenation of the reaction mixture in AcOH on 2percentPd/C, r.t.;

Reference yield:

tetralin (119-64-2) → trans-bicyclo[4.4.0]decane + cis-decahydronaphthalene + Menthane (99-82-1,1678-82-6,6069-98-3,129939-70-4,129939-71-5) + isobutylcyclohexane (1678-98-4) + butylcyclohexane (1678-93-9) + isopentyl-cyclopentane (1005-68-1) + n-pentylcyclopentane (3741-00-2) + 1-butylbenzene (104-51-8) + bicyclo<5.3.0>decane (5661-80-3) + bicyclopentyl (1636-39-1)

Guidance literature:

With hydrogen sulfide; hydrogen; at 350 ℃; Gas phase;

DOI:10.1016/j.jcat.2010.12.008

upstream raw materials:

1-phenyl-2-methylpropane

(2-methyl-1-propenyl)-benzene

1-(2-methylpropyl)-1-cyclohexanol

3-Chloro-2-methylpropene

Downstream raw materials:

1,3-dimethyladamantane

1,3,5,7-tetramethyladamantane

trans-Decalin

1-ethyladamantane

Refernces

• 1、 Bartling, Stephan,Chakrabortty, Soumyadeep,De Vries, Johannes G.,Kamer, Paul C. J.,Lund, Henrik,Müller, Bernd H.,Rockstroh, Nils. "The solvent determines the product in the hydrogenation of aromatic ketones using unligated RhCl3as catalyst precursor". . p. 7608 - 7616. Retrieved 2021/12/13.
• 2、 Nassreddine, Salim,Massin, Laurence,Aouine, Mimoun,Geantet, Christophe,Piccolo, Laurent. "Thiotolerant Ir/SiO2-Al2O3 bifunctional catalysts: Effect of metal-acid site balance on tetralin hydroconversion". scheme or table. p. 253 - 265. Retrieved 2011/04/22.