1,1-Dimethylcyclohexane

Base Information

• Chemical Name: 1,1-Dimethylcyclohexane
• CAS No.: 590-66-9
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• Hs Code.: 28261900
• European Community (EC) Number: 209-687-3
• NSC Number: 74156
• UN Number: 2263
• UNII: 2MEV4299RC
• DSSTox Substance ID: DTXSID1074832
• Nikkaji Number: J43.468J
• Wikidata: Q24702742
• Mol file: 590-66-9.mol

Synonyms:1,1-Dimethylcyclohexane;gem-Dimethylcyclohexane;590-66-9;Cyclohexane, 1,1-dimethyl-;Cyclohexane, dimethyl-;DIMETHYLCYCLOHEXANE;1,1-dimethyl-cyclohexane;27195-67-1;2MEV4299RC;EINECS 209-687-3;NSC 74156;NSC-74156;UN2263;AI3-28793;Dimethylcyclohexanes;3,3-dimethylcyclohexane;4,4-dimethylcyclohexane;Cyclohexane,1-dimethyl-;UNII-2MEV4299RC;1,1-Dimethylcyclohexane, 99%;DTXSID1074832;NSC74156;AKOS015907015;LS-56798;FT-0606136;Dimethylcyclohexanes [UN2263] [Flammable liquid];Dimethylcyclohexanes [UN2263] [Flammable liquid];Q24702742

Chemical Property of 1,1-Dimethylcyclohexane

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS LIQUID
• Melting Point: -33.3 °C
• Boiling Point: 120.6°Cat760mmHg
• Flash Point: 7.2°C
• PSA: 0.00000
• Density: 0.774g/cm³
• LogP: 2.97670
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 112.125200510
• Heavy Atom Count: 8
• Complexity: 64.1

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: F:Highly flammable
• Statements: R11:Highly flammable.; R38:Irritating to skin.
• Safety Statements: S16:Keep away from sources of ignition - No smoking.; S23:Do not inhale gas/fumes/vapour/spray.; S37:Wear suitable

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC1(CCCCC1)C

Technology Process of 1,1-Dimethylcyclohexane

There total 99 articles about 1,1-Dimethylcyclohexane 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: 90.0%

1-chloro-1-methylcyclohexane (931-78-2) + dimethyl zinc(II) (544-97-8) → 1,1-dimethylcyclohexane (590-66-9)

Guidance literature:

With zinc(II) chloride; In dichloromethane; at -50 - -20 ℃;

DOI:10.1039/c39800001202

Reference yield: 86.0%

1-methylcyclohex-1-ene (591-49-1) + tetramethylsilane (75-76-3) → 1,1-dimethylcyclohexane (590-66-9)

Guidance literature:

With hydrogenchloride; aluminium trichloride; In dichloromethane; at 20 ℃; for 2h;

Reference yield: 70.0%

1-(bromomethyl)-1-methylcyclohexane → 1,1-dimethylcyclohexane (590-66-9)

Guidance literature:

With [2-(di-tert-butylphosphinomethyl)-6-(diethylaminomethyl)pyridine]ruthenium(II) chlorocarbonyl hydride; isopropyl alcohol; sodium t-butanolate; at 100 ℃; for 18h; Inert atmosphere; Sealed tube; Green chemistry;

DOI:10.1002/anie.201708800

upstream raw materials:

cyclohexane

1-chloro-1-methylcyclohexane

dimethyl zinc(II)

3,3-dimethylcyclohexanol

Downstream raw materials:

1,2-dimethyl-3,4,5-trinitro-benzene

2,3-dimethyl-1,4,5-trinitro-benzene

o-xylene

m-xylene

Refernces

• 1、 Kursanov et al.. "". . . Retrieved 1979.
• 2、 Katayama, Yumi,Mitoma, Yoshiharu,Simion, Alina Marieta,Simion, Cristian. "Reduction of α,β-Unsaturated carbonyl compounds and 1,3-Diketones in aqueous media, using a raney ni-al alloy". . p. 51 - 55. Retrieved 2020/07/23.
• 3、 Haibach, Michael C.,Stoltz, Brian M.,Grubbs, Robert H.. "Catalytic Reduction of Alkyl and Aryl Bromides Using Propan-2-ol". supporting information. p. 15123 - 15126. Retrieved 2017/11/20.