Cyclohexylbenzene

Base Information

• Chemical Name: Cyclohexylbenzene
• CAS No.: 827-52-1
• Molecular Formula: C12H16
• Molecular Weight: 160.259
• Hs Code.: 2902909090
• European Community (EC) Number: 212-572-0,682-391-3
• NSC Number: 98371,69101,40473
• UNII: TRJ2SXT894
• DSSTox Substance ID: DTXSID3061188
• Nikkaji Number: J21.935E
• Wikipedia: Cyclohexylbenzene
• Wikidata: Q2198030
• ChEMBL ID: CHEMBL3278514
• Mol file: 827-52-1.mol

Synonyms:phenylcyclohexane

Chemical Property of Cyclohexylbenzene

Chemical Property:

• Appearance/Colour: Colourless liquid
• Vapor Pressure: 0.0524mmHg at 25°C
• Melting Point: 5 °C
• Refractive Index: n20/D 1.526(lit.)
• Boiling Point: 242.6 °C at 760 mmHg
• Flash Point: 93.2 °C
• PSA: 0.00000
• Density: 0.939 g/mL at 25 °C(lit.)
• LogP: 3.73430
• Water Solubility.: INSOLUBLE
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 160.125200510
• Heavy Atom Count: 12
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn:Harmful;;
• Statements: R22:; R36/38:; R50/53:
• Safety Statements: S26:; S60:; S61:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aromatic Hydrocarbons
• Canonical SMILES: C1CCC(CC1)C2=CC=CC=C2

Technology Process of Cyclohexylbenzene

There total 373 articles about Cyclohexylbenzene 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: 88.6%

dibenzothiophene (132-65-0) → biphenyl (92-52-4,1594-86-1) + 1-phenyl-1-cyclohexane (827-52-1,5379-26-0)

Guidance literature:

With hydrogen; In n-heptane; at 350 ℃; for 1h; under 760.051 Torr; Reagent/catalyst; Temperature; Catalytic behavior; Flow reactor;

DOI:10.1007/s13738-017-1089-x

Reference yield: 76.0%

4-Phenoxybiphenyl (3933-94-6) → biphenyl (92-52-4,1594-86-1) + 1-phenyl-1-cyclohexane (827-52-1,5379-26-0) + N-phenyl-2-cyclohexylamine (1821-36-9)

Guidance literature:

With sodium tetrahydroborate; 10 wt% Pd(OH)2 on carbon; ammonia; In water; m-xylene; at 150 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1021/acscatal.8b02214

Reference yield: 68.5%

ethene (74-85-1) + cyclohexane (110-82-7,25012-93-5) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → ethylbenzene (100-41-4,27536-89-6) + 1-phenyl-1-cyclohexane (827-52-1,5379-26-0)

Guidance literature:

With aluminium trichloride; at 75 ℃; for 1h; Product distribution; other molar ratio;

upstream raw materials:

(RS)-2-phenylcyclohexanone

biphenyl

1-phenyl-cyclohexanecarboxylic acid

sodium methylate

Downstream raw materials:

(E)-4-(4-cyclohexylphenyl)-4-oxobut-2-enoic acid

3-(4-cyclohexylbenzoyl)propionic acid

1-(4-cyclohexyl-phenyl)-butan-1-one

1,5-bis-(4-cyclohexyl-phenyl)-pentane-1,5-dione

Refernces

• 1、 Alonso-Nú?ez, G.,Huirache-Acu?a, R.,Maya-Yescas, R.,Pawelec, B.,Rivera-Mu?oz, E. M.,Vázquez, P. J.,Zepeda, T. A.. "The use of inorganic Al-HMS as a support for NiMoW sulfide HDS catalysts". . . Retrieved 2021.
• 2、 Guan, Qingxin,Cheng, Xun,Li, Rongguan,Li, Wei. "A feasible approach to the synthesis of nickel phosphide for hydrodesulfurization". . p. 1 - 9. Retrieved 2013.
• 3、 Kampmeier,Chen. "". . p. 2608,2611. Retrieved 1965.
• 4、 Castano, Pedro,Zepeda,Pawelec,Makkee, Michiel,Fierro. "Enhancement of biphenyl hydrogenation over gold catalysts supported on Fe-, Ce- and Ti-modified mesoporous silica (HMS)". . p. 30 - 39. Retrieved 2009.
• 5、 Ishihara, Atsushi,Shirouchi, Kenji,Kabe, Toshiaki. "Hydrodesulfurization of Dibenzothiophene Catalyzed by Silica-Alumina Supported Anionic Molybdenum Carbonyl Complexes". . p. 589 - 592. Retrieved 1993.
• 6、 Hedstr?m, Anna,Lindstedt, Erik,Norrby, Per-Ola. "On the oxidation state of iron in iron-mediated C-C couplings". . p. 51 - 55. Retrieved 2013.
• 7、 Quian, Weihua,Ishihara, Atsushi,Ogawa, Shinji,Kabe, Toshiaki. "Study of Hydrodesulfurization by the Use of 35S-Labeled Dibenzothiophene. 1. Hydrodesulfurization Mechanism on Sulfided Mo/Al2O3". . p. 907 - 911. Retrieved 1994.
• 8、 Qian, Weihua,Ishihara, Atsushi,Okoshi, Yuzo,Nakakami, Waka,Godo, Masazumi,Kabe, Toshiaki. "Elucidation of molybdenum-based catalysts using a radioisotope tracer method part 2? promotion effect of cobalt on molybdena/alumina catalyst". . p. 4395 - 4400. Retrieved 1997.
• 9、 Wang, Qingfang,Wang, Zhiqiang,Yin, Xiaoqian,Zhou, Linxi,Zhang, Minghui. "A new approach to synthesize supported ruthenium phosphides for hydrodesulfurization". . p. 98 - 102. Retrieved 2016.
• 10、 Kim, Jin Hong,Lee, Ji Woong,Shin, Ueon Sang,Lee, Jin Yong,Lee, Sang-Gi,Song, Choong Eui. "Activation of Lewis acid catalysts in the presence of an organic salt containing a non-coordinating anion: Its origin and application potential". . p. 4683 - 4685. Retrieved 2007.