1,1,2-Trimethylcyclohexane

Base Information

• Chemical Name: 1,1,2-Trimethylcyclohexane
• CAS No.: 7094-26-0
• Molecular Formula: C9H18
• Molecular Weight: 126.242
• European Community (EC) Number: 230-400-2
• NSC Number: 73964
• DSSTox Substance ID: DTXSID50871181
• Nikkaji Number: J227.376D
• Metabolomics Workbench ID: 5327
• Mol file: 7094-26-0.mol

Synonyms:1,1,2-Trimethylcyclohexane;7094-26-0;Cyclohexane, 1,1,2-trimethyl-;Cyclohexane, trimethyl-;30498-63-6;TRIMETHYLCYCLOHEXANE;EINECS 230-400-2;NSC 73964;NSC73964;1,2-Trimethylcyclohexane;Cyclohexane,1,2-trimethyl-;1,1,2-Trimethyl cyclohexane;DTXSID50871181;LMFA11000632;NSC-73964;AKOS006272344;FT-0636354

Chemical Property of 1,1,2-Trimethylcyclohexane

Chemical Property:

• Vapor Pressure: 6.19mmHg at 25°C
• Melting Point: -29°C
• Refractive Index: 1.4359
• Boiling Point: 145.2°Cat760mmHg
• Flash Point: 25.2°C
• PSA: 0.00000
• Density: 0.765g/cm³
• LogP: 3.22270
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 126.140850574
• Heavy Atom Count: 9
• Complexity: 92.2

Purity/Quality:

98% ^*data from raw suppliers

1,1,2-Trimethylcyclohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC1CCCCC1(C)C
• Uses: 1,1,2-Trimethylcyclohexane, is shown to be the product of thermal cracking of kerosine, a combustible hydrocarbon liquid. It is also found to be a component composition of petroelum obtained from oils fields.

Technology Process of 1,1,2-Trimethylcyclohexane

There total 16 articles about 1,1,2-Trimethylcyclohexane 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: 60.0%

di-tert-butyl dicarbonate (24424-99-5) + cyclopentene (142-29-0) → 1,1,2-trimethylcyclohexane (7094-26-0)

Guidance literature:

With triethyl aluminum sesquichloride; In dichloromethane; at -18 - 20 ℃; for 3h;

DOI:10.1021/ja048904y

Reference yield: 54.0%

t-butyl bromide (507-19-7) + cyclopentene (142-29-0) → 1,1,2-trimethylcyclohexane (7094-26-0) + tert-butylcyclopentane (3875-52-3)

Guidance literature:

With bis(cyclopentadienyl)titanium dichloride; triethylaluminum; In hexane; at 20 - 25 ℃; for 8h; Title compound not separated from byproducts;

DOI:10.1134/S1070428006120189

Reference yield:

aluminium trichloride (7446-70-0) + cis-decalin (493-01-6) → 1,1,2,2-Tetramethylcyclohexan (31845-13-3) + 1,1-dimethylcyclohexane (590-66-9) + 1,1,2-trimethylcyclohexane (7094-26-0)

Guidance literature:

at 100 ℃;

upstream raw materials:

1,1-Dimethyl-6-methylen-cyclohexadien-(2,4)

1,6,6-trimethylcyclohexene

(1'E)-1-(buta-1',3'-dienyl)-6,6-dimethyl-2-methylenecyclohexane

aluminium trichloride

Refernces

• 1、 Biermann, Ursula,Metzger, Juergen O.. "Alkylation of alkenes: Ethylaluminum sesquichloride-mediated hydro-alkyl additions with alkyl chloroformates and di-tert-butylpyrocarbonate". . p. 10319 - 10330. Retrieved 2007/10/03.
• 2、 Whitfield, Frank B.,Sugowdz, Galina. "Dehydration Studies of α- and β-Ionol. I With Hexamethylphosphoric Triamide". . p. 591 - 600. Retrieved 2007/10/02.