1,3,5-Trimethylcyclohexane

Base Information

• Chemical Name: 1,3,5-Trimethylcyclohexane
• CAS No.: 1839-63-0
• Molecular Formula: C9H18
• Molecular Weight: 126.242
• Hs Code.: 2902199090
• European Community (EC) Number: 217-417-0,689-402-0
• NSC Number: 73969,73968
• DSSTox Substance ID: DTXSID20862763,DTXSID801025627,DTXSID901025632
• Nikkaji Number: J94.865I,J95.167F,J95.168D,J100.553G
• Metabolomics Workbench ID: 49776,49777
• Mol file: 1839-63-0.mol

Synonyms:1,3,5-Trimethylcyclohexane;1839-63-0;1795-26-2;1795-27-3;cis,cis,trans-1,3,5-trimethylcyclohexane;cis-1,3,5-Trimethylcyclohexane;CYCLOHEXANE, 1,3,5-TRIMETHYL-;Cyclohexane, 1,3,5-trimethyl-, cis-;Cis,cis,cis-1,3,5-trimethylcyclohexane;Cyclohexane, 1,3,5-trimethyl-, trans-;Cyclohexane, 1,3,5-trimethyl-, (1.alpha.,3.alpha.,5.alpha.)-;Cyclohexane, 1,3,5-trimethyl-, (1.alpha.,3.alpha.,5.beta.)-;1,3,5-trans-Trimethylcyclohexane;1-trans-3,5-Trimethylcyclohexane;trans-1,3,5-Trimethylcyclohexane;EINECS 217-417-0;NSC 73968;1alpha,3alpha-5beta-trimethylcyclohexane;1alpha,3alpha-5alpha-trimethylcyclohexane;Cyclohexane, 1,3,5-trimethyl-, (1alpha,3alpha,5beta)-;Cyclohexane, 1,3,5-trimethyl-, (1alpha,3alpha,5beta)-trans-;1,3,5-trimethyl-cyclohexane;NSC73968;1,cis-3,cis-5-Trimethylcyclohexane;1,cis-3,trans-5-Trimethylcyclohexane;1,cis-5-Trimethylcyclohexane;cis-1,5-Trimethylcyclohexane;1,3,5-Trimethyl cyclohexane;1,trans-5-Trimethylcyclohexane;1,3,5-Trimethylcyclohexane #;1,3,5-cis-Trimethylcyclohexane;(r)-1,3,5-trimethylcyclohexane;DTXSID20862763;DTXSID801025627;DTXSID901025632;Cyclohexane,3,5-trimethyl-, cis-;BAA83963;NSC73969;1,3(Z),5(E)-Trimethylcyclohexane;cis,cis-1,3,5-Trimethylcyclohexane;Cyclohexane,3,5-trimethyl-, trans-;LMFA11000642;LMFA11000643;MFCD00042625;NSC 73969;NSC-73968;NSC-73969;AKOS006274111;AKOS006274112;AKOS024390963;1,3,5-Trimethylcyclohexane, cis, cis;1alpha,3beta,5beta-Trimethylcyclohexane;1beta,3beta,5alpha-Trimethylcyclohexane;1alpha,3alpha,5alpha-Trimethylcyclohexane;BS-22667;Cis,cis,cis-1,3,5-trimethyl cyclohexane;(1s,3s,5s)-1,3,5-trimethylcyclohexane;Cis,Cis,Cis-1,3,5-Trimethyl-cyclohexane;Cis,cis,trans-1,3,5-trimethyl cyclohexane;FT-0694307;FT-0694308;FT-0694309;T0664;Cyclohexane, 1,3,5-trimethyl-, cis- (8CI);D92376;(1alpha,3alpha,5alpha)-1,3,5-Trimethylcyclohexane;J-520059;(1alpha,3alpha,3beta)-1,3,,5-Trimethylcychlohexane;Cyclohexane, 1,3,5-trimethyl-, (1alpha,3alpha,5alpha)-;(1.alpha.,3.alpha.,5.alpha.)-1,3,5-Trimethyl-cyclohexane;Cyclohexane,3,5-trimethyl-, (1.alpha.,3.alpha.,5.alpha.)-;Cyclohexane,3,5-trimethyl-, (1.alpha.,3.alpha.,5.beta.)-;1,3,5-Trimethylcyclohexanel-, (1.alpha.,3.alpha.,5.beta.)- #;Cyclohexane, 1,3,5-trimethyl-, (1.alpha.,3.alpha.,5.alpha.)-cis

Chemical Property of 1,3,5-Trimethylcyclohexane

Chemical Property:

• Melting Point: -50 °C
• Refractive Index: 1.4260 to 1.4290
• Boiling Point: 139.499 °C at 760 mmHg
• Flash Point: 27.902 °C
• PSA: 0.00000
• Density: 0.759 g/cm³
• LogP: 3.07860
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 126.140850574
• Heavy Atom Count: 9
• Complexity: 55

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,3,5-Trimethylcyclohexane >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 11
• Safety Statements: 9-16-33

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC1CC(CC(C1)C)C

Technology Process of 1,3,5-Trimethylcyclohexane

There total 37 articles about 1,3,5-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: 100.0%

1,3,5-trimethyl-benzene (108-67-8) → 1,3,5-trimethylcyclohexane (1839-63-0)

Guidance literature:

With 5% Ru/MgO; hydrogen; In tetrahydrofuran; at 120 ℃; for 8h; under 7600.51 Torr;

DOI:10.1016/j.jcat.2013.12.017

Reference yield:

toluene (108-88-3,15644-74-3,16713-13-6) → biphenyl (92-52-4,1594-86-1) + methyl-cyclopentane (96-37-7) + cyclohexane (110-82-7,25012-93-5) + ethyl-cyclohexane (1678-91-7) + 1,3-dimethylcyclohexane (638-04-0,2207-03-6,69685-67-2,69685-68-3,129939-72-6,129939-73-7,591-21-9) + 1,3,5-trimethylcyclohexane (1839-63-0) + para-xylene (106-42-3) + ethylbenzene (100-41-4,27536-89-6) + methyl cyclohexane (82166-21-0) + m-xylene (108-38-3,104809-90-7) + 1,3,5-trimethyl-benzene (108-67-8) + isoprene (78-79-5,9003-31-0) + 1,4 dimethylcyclohexane (589-90-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

With Ni-doped silica; water; hydrogen; at 119.84 ℃; Reagent/catalyst; Catalytic behavior;

DOI:10.1016/j.apcata.2019.117374

Reference yield:

tallow oil + decalin (91-17-8) → cis-decahydronaphthalene + trans-decalin + naphthalene (91-20-3,71998-51-1,72931-45-4) + tetralin (119-64-2) + octane (111-65-9) + nonane (111-84-2) + dodecane (112-40-3) + pentadecane (629-62-9) + icosane (112-95-8) + n-docosane (629-97-0) + methane (34557-54-5,27936-85-2) + n-heptane (142-82-5) + Tridecane (629-50-5) + isotridecane (1560-97-0) + tetradecane (629-59-4) + 3-methyl-tridecane (6418-41-3) + 2-methyltridecane (1560-96-9) + 3-methyltetradecane (18435-22-8) + isopentadecane (1560-95-8) + 3-methylpentadecane (2882-96-4) + 2-methylpentadecane (1560-93-6) + Hexadecane (544-76-3) + hepatdecane (629-78-7) + 3-methylhexadecane (6418-43-5) + 2-methyl-hexadecane (1560-92-5) + octadecane (593-45-3) + 3-methyl-heptadecane (6418-44-6) + 2-methylheptadecane (1560-89-0) + n-nonadecane (629-92-5) + phytane (638-36-8) + 2-methyl-eicosane (1560-84-5) + n-tricosane (638-67-5) + octadec-1-ene (112-88-9) + n-undecylcyclohexane (54105-66-7) + 1,3,5-trimethylcyclohexane (1839-63-0) + bicyclopentyl (1636-39-1) + decahydro-2-methyl naphthalene (2958-76-1)

Guidance literature:

With Dimethyldisulphide; hydrogen; cobalt-molybdenum on alumina; at 363 ℃; for 120h; under 75757.6 Torr; Product distribution / selectivity;

upstream raw materials:

2,2,4-trimethylpentane

cyclohexane

propene

(1-methylethyl)-cyclohexane

Downstream raw materials:

2,4-dinitromesitylene

1,3,5-trimethyl-benzene

3,5-Dimethyl-1-cyclohexan-carbaldehyd-oxim

2,4,6-trimethyl-cyclohexanone oxime

Refernces

• 1、 Stalzer, Madelyn Marie,Nicholas, Christopher P.,Bhattacharyya, Alak,Motta, Alessandro,Delferro, Massimiliano,Marks, Tobin J.. "Single-Face/All-cis Arene Hydrogenation by a Supported Single-Site d0 Organozirconium Catalyst". . p. 5263 - 5267. Retrieved 2016.
• 2、 Laprune,Tuel,Farrusseng,Meunier. "Selective removal of external Ni nanoparticles on Ni@silicalite-1 single crystal nanoboxes: Application to size-selective arene hydrogenation". . p. 69 - 76. Retrieved 2017.
• 3、 Atsumi, Ryosuke,Kobayashi, Keisuke,Xieli, Cui,Nanba, Tetsuya,Matsumoto, Hideyuki,Matsuda, Keigo,Tsujimura, Taku. "Effects of steam on toluene hydrogenation over a Ni catalyst". . . Retrieved 2019/12/23.
• 4、 Ghosh, Sourav,Jagirdar, Balaji R.. "Effect of the Crystallographic Phase of Ruthenium Nanosponges on Arene and Substituted-Arene Hydrogenation Activity". . p. 3086 - 3095. Retrieved 2018/05/29.