1-Cyclohexylethanol

Base Information

• Chemical Name: 1-Cyclohexylethanol
• CAS No.: 1193-81-3
• Deprecated CAS: 104713-60-2
• Molecular Formula: C8H16O
• Molecular Weight: 128.214
• Hs Code.: 29061900
• European Community (EC) Number: 214-780-7
• NSC Number: 44898,9476
• UNII: G247D91I97
• DSSTox Substance ID: DTXSID7047643
• Nikkaji Number: J138.306J
• ChEMBL ID: CHEMBL3186998
• Mol file: 1193-81-3.mol

Synonyms:1-Cyclohexylethanol;1193-81-3;1-cyclohexylethan-1-ol;1-Cyclohexyl-1-ethanol;Methylcyclohexylcarbinol;Cyclohexylmethylcarbinol;Ethanol, 1-cyclohexyl-;Methanol, cyclohexylmethyl-;Cyclohexanemethanol, .alpha.-methyl-;Cyclohexanemethanol, alpha-methyl-;(+-)-1-Cyclohexylethanol;alpha-Methylcyclohexanemethanol;DTXSID7047643;NSC 9476;NSC-9476;EINECS 214-780-7;MFCD00001475;NSC 44898;NSC-44898;G247D91I97;AI3-36516;NSC9476;1-cyclohexyl ethanol;1-cyclohexyl-ethanol;1 - cyclohexylethanol;1-(cyclohexyl)ethanol;1-hydroxyethylcyclohexane;a-Methyl-cyclohexanemethanol;1-Cyclohexylethanol, 97%;SCHEMBL5195;1-methyl-1-cyclohexylmethanol;CHEMBL3186998;DTXCID5027643;FEMA NO. 4794;UNII-G247D91I97;NSC44898;Tox21_302512;AKOS009157819;CYCLOHEXANEMETHANOL, (+/-)-;CYCLOHEXANEMETHANOL, ?-METHYL-;PB48822;SB46174;1-CYCLOHEXYLETHANOL, (+/-)-;NCGC00256778-01;BS-19500;METHYLCYCLOHEXYLCARBINOL, (+/-)-;SY101045;CAS-1193-81-3;CS-0109616;Cyclohexanemethanol, .alpha.-methyl-, (S)-;FT-0652322;EN300-54234;F11489;J-004118;Z445987098

Chemical Property of 1-Cyclohexylethanol

Chemical Property:

• Vapor Pressure: 0.16mmHg at 25°C
• Melting Point: 140 °C
• Refractive Index: n20/D 1.465(lit.)
• Boiling Point: 189 °C(lit.)
• PKA: 15.24±0.20(Predicted)
• Flash Point: 163 °F
• PSA: 20.23000
• Density: 0.928 g/mL at 25 °C(lit.)
• LogP: 1.94750
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 5.163g/L at 24℃
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 74.6

Purity/Quality:

99.9% ^*data from raw suppliers

1-Cyclohexylethanol 97% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1CCCCC1)O

Technology Process of 1-Cyclohexylethanol

There total 125 articles about 1-Cyclohexylethanol 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: 76.0%

acetophenone (98-86-2) → ethylbenzene (100-41-4,27536-89-6) + 1-Phenylethanol (98-85-1,13323-81-4) + rac-1-cyclohexylethanol (1193-81-3) + Cyclohexyl methyl ketone (823-76-7)

Guidance literature:

With hydrogen; In ethanol; water; at 99.84 ℃; for 1h; under 7500.75 Torr;

DOI:10.1246/cl.140539

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: 60.0%

acetophenone (98-86-2) → 1-Phenylethanol (98-85-1,13323-81-4) + rac-1-cyclohexylethanol (1193-81-3)

Guidance literature:

With 5% Pd(II)/C(eggshell); hydrogen; In water; at 20 ℃; for 6h; under 5320.36 Torr; Autoclave;

DOI:10.1002/adsc.200900203

upstream raw materials:

methyl magnesium iodide

diethyl ether

2-chloro-cycloheptanol

1-Phenylethanol

Downstream raw materials:

(S)-(+)-1-cyclohexylethanol

dithiocarbonic acid O-(1-cyclohexyl-ethyl ester)-S-methyl ester

ethylidenecyclohexane

1-methyl-1-cyclohexanecarboxylic acid

Refernces

• 1、 FREIFELDER,ANDERSON,NG,PAPENDICK. "CATALYTIC HYDROGENATION OF ACETOPHENONE.". . p. 967 - 967. Retrieved 1964.
• 2、 Bergault, Isabelle,Fouilloux, Pierre,Joly-Vuillemin, Catherine,Delmas, Henri. "Kinetics and intraparticle diffusion modelling of a complex multistep reaction: Hydrogenation of acetophenone over a rhodium catalyst". . p. 328 - 337. Retrieved 1998.
• 3、 Guerrero,Roucoux,Denicourt-Nowicki,Bricout,Monflier,Collire,Fajerwerg,Philippot. "Alkyl sulfonated diphosphines-stabilized ruthenium nanoparticles as efficient nanocatalysts in hydrogenation reactions in biphasic media". . p. 34 - 41. Retrieved 2012.
• 4、 Faust, Kirill,Topf, Christoph,Vielhaber, Thomas. "Group 6 Metal Carbonyl Complexes Supported by a Bidentate PN Ligand: Syntheses, Characterization, and Catalytic Hydrogenation Activity". . p. 4535 - 4543. Retrieved 2020.
• 5、 Jiang, He-yan,Cheng, Hong-mei,Bian, Feng-xia. "Heterogeneous Enantioselective Hydrogenation of Aromatic Ketones Catalyzed by Rh Nanoparticles Immobilized in Ionic Liquid". . . Retrieved 2019.
• 6、 Duraczynska,Drelinkiewicz,Serwicka,Rutkowska-Zbik,Bielańska,Socha,Bukowska,Bukowski. "Preparation and characterization of RuCl3 - Diamine group functionalized polymer". . p. 382 - 391. Retrieved 2010.
• 7、 Duraczynska, Dorota,Drelinkiewicz, Alicja,Bielanska, Elzbieta,Serwicka, Ewa M.,Litynska-Dobrzynska, Lidia. "Hydrogenation of acetophenone in the presence of Ru catalysts supported on amine groups functionalized polymer". . p. 83 - 94. Retrieved 2011.
• 8、 Passera, Alessandro,Mezzetti, Antonio. "Mn(I) and Fe(II)/PN(H)P Catalysts for the Hydrogenation of Ketones: A Comparison by Experiment and Calculation". . p. 4691 - 4706. Retrieved 2019.
• 9、 Rakers, Lena,Martínez-Prieto, Luis M.,López-Vinasco, Angela M.,Philippot, Karine,Van Leeuwen, Piet W. N. M.,Chaudret, Bruno,Glorius, Frank. "Ruthenium nanoparticles ligated by cholesterol-derived NHCs and their application in the hydrogenation of arenes". . p. 7070 - 7073. Retrieved 2018.
• 10、 Bayón Casta?ón, Esther,Kaposi, Marlene,Reich, Robert M.,Kühn, Fritz E.. "Water-soluble transition metal complexes of ruthenium(II), osmium(II), rhodium(III) and iridium(III) with chelating N-heterocyclic carbene ligands in hydrogenation and transfer hydrogenation catalysis". . p. 2318 - 2329. Retrieved 2018.