1,4-Dimethylcyclohexane

Base Information

• Chemical Name: 1,4-Dimethylcyclohexane
• CAS No.: 589-90-2
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• European Community (EC) Number: 210-840-1,209-663-2,218-622-8
• NSC Number: 74162,74160,44845
• UNII: 417GE5869Y,8NUV3O4B1R
• DSSTox Substance ID: DTXSID5075284,DTXSID301025608,DTXSID401015836
• Nikkaji Number: J43.405A,J43.406J,J34.004I
• Wikidata: Q27258413,Q27270796
• Metabolomics Workbench ID: 5333
• Mol file: 589-90-2.mol

Synonyms:cis-1,4-Dimethylcyclohexane;trans-1,4-Dimethylcyclohexane;1,4-DIMETHYLCYCLOHEXANE;624-29-3;589-90-2;2207-04-7;Cyclohexane, 1,4-dimethyl-, cis-;Hexahydroxylene;trans-Hexahydro-p-xylene;1,cis-4-Dimethylcyclohexane;Cyclohexane, 1,4-dimethyl-;Cyclohexane, 1,4-dimethyl-, trans-;1,trans-4-Dimethylcyclohexane;1,4-Dimethylcyclohexane, trans-;1,4-Dimethylcyclohexane, (Z)-;8NUV3O4B1R;(1S,4S)-1,4-DIMETHYLCYCLOHEXANE;UNII-4C75P10R7G;UNII-417GE5869Y;EINECS 209-663-2;EINECS 210-840-1;NSC 44845;NSC-74160;NSC-74162;417GE5869Y;(1R,4R)-1,4-DIMETHYLCYCLOHEXANE;t-1,4-Dimethylcyclohexane;Cyclohexane, trans-1,4-dimethyl-;Hexahydro-p-xylene;p-Dimethylcyclohexane;NSC 74162;cis-p-hexahydroxylene;cis-hexahydro-p-xylene;trans-p-hexahydroxylene;1,4-dimethyl-cyclohexane;UNII-8NUV3O4B1R;1,4(cis)-dimethylcyclohexane;(Z)-1,4-dimethylcyclohexane;Cis-1,4-dimethyl cyclohexane;WLN: L6TJ A1 D1;1,4(trans)-dimethylcyclohexane;1,4-Dimethylcyclohexane, cis-;Cyclohexane,4-dimethyl-, cis-;Dimethylcyclohexane, cis-1,4-;Trans-1,4 dimethyl cyclohexane;1alpha,4beta-Dimethylcyclohexane;DTXSID5075284;Cyclohexane, cis-1,4-dimethyl-;1alpha,4alpha-Dimethylcyclohexane;Cyclohexane,4-dimethyl-, trans-;CHEBI:165732;CHEBI:167602;CHEBI:167603;4C75P10R7G;DTXSID301025608;DTXSID401015836;NSC44845;NSC74160;NSC74162;cis-1,4-Dimethylcyclohexane, 99%;EINECS 218-622-8;LMFA11000638;MFCD00001508;MFCD00064174;MFCD00064955;NA2263;NSC 74160;NSC-44845;AKOS015913044;AKOS015915844;AKOS024319569;TRANS-1,4-DIMETHYL-CYCLOHEXANE;1,4-DIMETHYLCYCLOHEXANE (TRANS);AS-46786;BS-52912;CYCLOHEXANE, 1,4-DIMETHYL-, (E);CYCLOHEXANE, 1,4-DIMETHYL-, (Z);CS-0199036;CS-0454408;D0271;D0700;D1715;FT-0606891;FT-0632626;FT-0634125;D89704;D89914;F10496;trans-1,4-Dimethylcyclohexane, >=98.0% (GC);J-014464;Q27258413;Q27270796

Chemical Property of 1,4-Dimethylcyclohexane

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 18.2mmHg at 25°C
• Melting Point: −87 °C(lit.)
• Refractive Index: n20/D 1.426(lit.)
• Boiling Point: 120 °C(lit.)
• Flash Point: 15.6°C
• PSA: 0.00000
• Density: 0.766g/cm³
• LogP: 2.83260
• Water Solubility.: 3.84 mg l-1
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 112.125200510
• Heavy Atom Count: 8
• Complexity: 48.4

Purity/Quality:

98% ^*data from raw suppliers

1,4-Dimethylcyclohexane (cis- and trans- mixture) >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn,N
• Hazard Codes: F,Xn,N
• Statements: 11-38-51/53-65-67
• Safety Statements: 9-16-33-61-62

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC1CCC(CC1)C
• Uses: Dialkylcyclohexane is used as a solvent. Dimethyl- and diethylcyclohexane are used in catalytic reforming to produce C8 aromatic compounds. 1,4-Dimethylcyclohexane (mixture of cis and trans) has been used to study the absorption of ultrasonic waves that can be measured by a reverberation technique.

Technology Process of 1,4-Dimethylcyclohexane

There total 47 articles about 1,4-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: 100.0%

para-xylene (106-42-3) → 1,4 dimethylcyclohexane (589-90-2)

Guidance literature:

With hydrogen; [(norbornadiene)rhodium(I)chloride]2; phosphinated polydiacetylene; In n-heptane; at 30 ℃; for 1.5h; under 60800 Torr;

DOI:10.1246/cl.1982.603

Reference yield: 90.0%

para-xylene (106-42-3) → 1,4-dimethylcyclohex-1-ene (2808-79-9) + 1,4 dimethylcyclohexane (589-90-2)

Guidance literature:

With hydrogen; 1-butyl-3-methylimidazolium Tetrafluoroborate; Rh nanoparticles stabilized by poly(NVP-co-VBIMCl); at 75 ℃; for 12h; under 30402 Torr; Product distribution;

DOI:10.1016/j.jcat.2007.05.014

Reference yield: 84.0%

1,4-dimethylcyclohex-1-ene (2808-79-9) → 1,4 dimethylcyclohexane (589-90-2)

Guidance literature:

With hydrogen; 1,5-hexadienerhodium(I)-chloride dimer; In various solvent(s); for 9h; Ambient temperature; pH=7.6;

upstream raw materials:

2,5-Dimethylphenol

1,4-dimethylcyclohexyl chloride

2-ethyl-1-methylcyclopentane

isopropylcyclopentane

Downstream raw materials:

formic acid

3-methylvaleric acid

carbon dioxide

2,5-hexanedione

Refernces

• 1、 Hongkailers, Surachet,Jing, Yaxuan,Wang, Yanqin,Hinchiranan, Napida,Yan, Ning. "Recovery of Arenes from Polyethylene Terephthalate (PET) over a Co/TiO2 Catalyst". . p. 4330 - 4339. Retrieved 2021/09/03.
• 2、 Chatterjee, Basujit,Kalsi, Deepti,Kaithal, Akash,Bordet, Alexis,Leitner, Walter,Gunanathan, Chidambaram. "One-pot dual catalysis for the hydrogenation of heteroarenes and arenes". . p. 5163 - 5170. Retrieved 2020/09/07.