Ethylcyclohexane

Base Information

• Chemical Name: Ethylcyclohexane
• CAS No.: 1678-91-7
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• Hs Code.: 2942000000
• European Community (EC) Number: 216-835-0
• NSC Number: 8880
• UN Number: 1993
• UNII: 567IJI1215
• DSSTox Substance ID: DTXSID1051779
• Nikkaji Number: J43.538D
• Wikidata: Q21024279
• Metabolomics Workbench ID: 5354
• ChEMBL ID: CHEMBL1882821
• Mol file: 1678-91-7.mol

Synonyms:ethylcyclohexane

Chemical Property of Ethylcyclohexane

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 12.4mmHg at 25°C
• Melting Point: -111 °C
• Refractive Index: n20/D 1.432(lit.)
• Boiling Point: 129.4 °C at 760 mmHg
• Flash Point: 18.9 °C
• PSA: 0.00000
• Density: 0.779 g/cm³
• LogP: 2.97670
• Water Solubility.: INSOLUBLE
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 112.125200510
• Heavy Atom Count: 8
• Complexity: 51.1
• Transport DOT Label: Flammable Liquid

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s): F; Xn; N
• Hazard Codes: F:Flammable;;
• Statements: R11:; R65:
• Safety Statements: S9:; S16:; S29:; S33:; S62:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CCC1CCCCC1

Technology Process of Ethylcyclohexane

There total 257 articles about Ethylcyclohexane 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: 93.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → ethyl-cyclohexane (1678-91-7) + ethylbenzene (100-41-4,27536-89-6)

Guidance literature:

With Aliquat 336; rhodium(III) chloride; In water; 1,2-dichloro-ethane; at 30 ℃; for 5h;

DOI:10.1016/S0040-4039(00)88282-9

Reference yield: 69.0%

acetophenone (98-86-2) → ethyl-cyclohexane (1678-91-7) + ethylbenzene (100-41-4,27536-89-6) + 1-Phenylethanol (98-85-1,13323-81-4) + rac-1-cyclohexylethanol (1193-81-3)

Guidance literature:

With hydrogen; Pd APII Deloxan; at 200 ℃; under 90007.2 Torr;

DOI:10.1039/a704371f

Reference yield: 55.0%

vinylcyclohexane (695-12-5,25498-06-0) + diethylmethylsilane (760-32-7) + carbon monoxide (201230-82-2) → ethyl-cyclohexane (1678-91-7) + ethylidenecyclohexane (1003-64-1) + [(E)-3-(Diethyl-methyl-silanyl)-3-(diethyl-methyl-silanyloxy)-allyl]-cyclohexane (144564-72-7,144564-73-8)

Guidance literature:

With n; In benzene; at 140 ℃; for 48h; under 38000 Torr;

DOI:10.1021/ja00050a089

upstream raw materials:

styrene

diethyl sulfate

diethyl ether

Perbenzoic acid

Downstream raw materials:

1-ethyl-4-isopropyl-cyclohexane

perfluoroethylperfluorocyclohexane

1,3-dimethylcyclohexane

trans-1,3-dimethylcyclohexane

Refernces

• 1、 Mevellec, Vincent,Roucoux, Alain,Ramirez, Esther,Philippot, Karine,Chaudret, Bruno. "Surfactant-stabilized aqueous iridium(0) colloidal suspension: An efficient reusable catalyst for hydrogenation of arenes in biphasic media". . p. 72 - 76. Retrieved 2004.
• 2、 Taubmann, Sandra,Denner, Christine E.,Alt, Helmut G.. "Catalytic dehydrogenation of cyclooctane with titanium, zirconium and hafnium metallocene complexes". . p. 2005 - 2019. Retrieved 2009.
• 3、 Newland, Robert J.,Lynam, Jason M.,Mansell, Stephen M.. "Small bite-angle 2-phosphinophosphinine ligands enable rhodium-catalysed hydroboration of carbonyls". . p. 5482 - 5485. Retrieved 2018.
• 4、 Faure, Matthieu,Vallina, Ana Tesouro,Stoeckli-Evans, Helen,Süss-Fink, Georg. "Catalytic hydrogenation of aromatics under biphasic conditions: Isolation and structural characterisation of the cluster intermediate [(η6-C6Me6)2(η 6-C6H6)Ru3(μ2-H) 2(μ2-OH)(μ3-O)]+". . p. 103 - 108. Retrieved 2001.
• 5、 Pei, An,Ruan, Luna,Liao, Jianhua,Zhang, Huan,Wang, Jiexiang,Yang, Kai,Liu, Zhiping,Zhu, Lihua,Chen, Bing Hui. "Preparation of a PdRuNi/C tri-metallic nanocatalyst and its excellent catalytic performance for ethylbenzene hydrogenation reaction". . p. 17306 - 17314. Retrieved 2019.
• 6、 Kaushik, Madhu,Friedman, Hava Meira,Bateman, Mary,Moores, Audrey. "Cellulose nanocrystals as non-innocent supports for the synthesis of ruthenium nanoparticles and their application to arene hydrogenation". . p. 53207 - 53210. Retrieved 2015.
• 7、 Kornblum,N. et al.. "-". . p. 3099 - 3102. Retrieved 1960.
• 8、 Zhu, Tianhan,Song, Hua,Li, Feng,Chen, Yanguang. "Preparation of NiCu Alloy Catalyst for the Hydrodeoxygenation of Benzofuran". . p. 1670 - 1682. Retrieved 2021.
• 9、 Wu, Pengyu,Cai, Chun. "Supported Pt-Ni bimetallic nanoparticles catalyzed hydrodeoxygenation of dibenzofuran with high selectivity to bicyclohexane". . p. 234 - 238. Retrieved 2021/07/10.
• 10、 Cao, Meifang,Chen, Bo,He, Chengzhi,Ouyang, Xinping,Qian, Yong,Qiu, Xueqing. "Fabricating nickel phyllosilicate-like nanosheets to prepare a defect-rich catalyst for the one-pot conversion of lignin into hydrocarbons under mild conditions". supporting information. p. 846 - 857. Retrieved 2022/02/09.