Cyclohexanol

Base Information

• Chemical Name: Cyclohexanol
• CAS No.: 108-93-0
• Deprecated CAS: 2263936-22-5
• Molecular Formula: C6H12O
• Molecular Weight: 100.161
• Hs Code.: 2906.12
• European Community (EC) Number: 203-630-6
• ICSC Number: 0243
• NSC Number: 403656
• UN Number: 1986,1993
• UNII: 8E7S519M3P
• DSSTox Substance ID: DTXSID4021894
• Nikkaji Number: J2.871A
• Wikipedia: Cyclohexanol,Anol
• Wikidata: Q423282
• Metabolomics Workbench ID: 51153
• ChEMBL ID: CHEMBL32010
• Mol file: 108-93-0.mol

Synonyms:Cyclohexanol;Cyclohexanols

Chemical Property of Cyclohexanol

Chemical Property:

• Appearance/Colour: a colorless liquid with a camphor-like odor
• Vapor Pressure: 0.876mmHg at 25°C
• Melting Point: 23 °C
• Refractive Index: 1.4641
• Boiling Point: 159.552 °C at 760 mmHg
• Flash Point: 67.778 °C
• PSA: 20.23000
• Density: 0.968 g/cm³
• LogP: 1.31140
• Water Solubility.: 3.6 g/100 mL (20℃)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 100.088815002
• Heavy Atom Count: 7
• Complexity: 46.1
• Transport DOT Label: Flammable Liquid Poison

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn:Harmful
• Statements: R20/22:; R37/38:
• Safety Statements: S24/25:

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: C1CCC(CC1)O
• Recent ClinicalTrials: Safety and Effectiveness of the PXL Platinum 330 System With Riboflavin Solution for Previously Untreated Corneal Ulcers
• Inhalation Risk: A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract. The substance may cause effects on the central nervous system.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking.

Technology Process of Cyclohexanol

There total 1399 articles about Cyclohexanol 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: 96.0%

2-phenethoxybenzene (40515-89-7) → ethylbenzene (100-41-4,27536-89-6) + cyclohexanol (108-93-0) + phenol (108-95-2,27073-41-2)

Guidance literature:

With Ni_0.85Rh_0.15; hydrogen; In water; at 95 ℃; for 16h; under 760.051 Torr; Reagent/catalyst;

DOI:10.1039/c8sc00742j

Reference yield: 94.0%

2-phenethoxybenzene (40515-89-7) → ethylbenzene (100-41-4,27536-89-6) + cyclohexanol (108-93-0)

Guidance literature:

With Ru_0.6Ni_0.4; hydrogen; In water; at 95 ℃; for 16h; under 760.051 Torr; Reagent/catalyst;

DOI:10.1039/c8sc00742j

Reference yield: 93.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + aniline (62-53-3) → N-phenyl-2-cyclohexylamine (1821-36-9) + cyclohexanol (108-93-0)

Guidance literature:

cyclohexanone; aniline; at 25 ℃; for 0.166667h;

With sodium tetrahydroborate; toluene-4-sulfonic acid; at 25 ℃; for 0.166667h;

DOI:10.1016/j.tet.2005.04.039

upstream raw materials:

cyclohexyl(2-(hydroxy)ethyl)amine

BPA

methyl magnesium iodide

diethyl ether

Downstream raw materials:

dimorpholino-phosphinic acid cyclohexyl ester

cyclohexanone

3-(2-furyl) propenoate de cyclohexyle

cyclohexyl 3-oxobutanoate

Refernces

• 1、 Matsuda,Koida. "-". . p. 2259. Retrieved 1973.
• 2、 Yuan, Pei-Qing,Liu, Ying,Bai, Fan,Xu, Liang,Cheng, Zhen-Min,Yuan, Wei-Kang. "Hydration of cyclohexene in sub-critical water over WOx-ZrO 2 catalysts". . p. 753 - 756. Retrieved 2011.
• 3、 Kim, Jinheung,Harrison, Roger G.,Kim, Cheal,Que Jr., Lawrence. "Fe(TPA)-catalyzed alkane hydroxylation. Metal-based oxidation vs radical chain autoxidation". . p. 4373 - 4379. Retrieved 1996.
• 4、 Mohajer, Daryoush,Tayebee, Reza,Goudarziafshar, Hameed. "Oxidation of Cycloalkanes and Arylalkanes with Sodium Periodate Catalysed by Manganese Porphyrins". . p. 822 - 823. Retrieved 1998.
• 5、 Amadelli, R.,Bregola, M.,Polo, E.,Carassiti, V.,Maldotti, A.. "Photooxidation of Hydrocarbons on Porphyrin-modified Titanium Dioxide Powders". . p. 1355 - 1357. Retrieved 1992.
• 6、 Abe, Katsutoshi,Ohishi, Yusuke,Okada, Takuto,Yamada, Yasuhiro,Sato, Satoshi. "Vapor-phase catalytic dehydration of terminal diols". . p. 419 - 424. Retrieved 2011.
• 7、 Chen, Lu,Fink, Cornel,Fei, Zhaofu,Dyson, Paul J.,Laurenczy, Gabor. "An efficient Pt nanoparticle-ionic liquid system for the hydrodeoxygenation of bio-derived phenols under mild conditions". . p. 5435 - 5441. Retrieved 2017.
• 8、 Denicourt-Nowicki, Audrey,Lebedeva, Anastasia,Bellini, Clément,Roucoux, Alain. "Highly selective cycloalkane oxidation in water with ruthenium nanoparticles". . p. 357 - 362. Retrieved 2016.
• 9、 Wu, Wenfeng,Fu, Zaihui,Wen, Xu,Wang, Yongjun,Zou, Shuai,Meng, Yue,Liu, Yachun,Kirk, Steven Robert,Yin, Dulin. "Light-triggered oxy-chlorination of cyclohexane by metal chlorides". . p. 483 - 489. Retrieved 2014.
• 10、 Batey, Robert A.,MacKay, D. Bruce. "Organosilane-mediated free radical cyclization reactions employing carbonyl traps". . p. 7267 - 7270. Retrieved 1998.