2-Cyclohexylcyclohexanol

Base Information

• Chemical Name: 2-Cyclohexylcyclohexanol
• CAS No.: 6531-86-8
• Molecular Formula: C12H22 O
• Molecular Weight: 182.306
• Hs Code.: 2906199090
• European Community (EC) Number: 229-430-9
• NSC Number: 245150,6094
• UNII: E59L8NAX9O
• DSSTox Substance ID: DTXSID2041414
• Nikkaji Number: J101.933C
• Wikidata: Q27276888
• Mol file: 6531-86-8.mol

Synonyms:2-Cyclohexylcyclohexanol;6531-86-8;[1,1'-Bicyclohexyl]-2-ol;2-cyclohexylcyclohexan-1-ol;[1,1'-Bi(cyclohexan)]-2-ol;Cyclohexanol, 2-cyclohexyl-;[Bicyclohexyl]-2-ol;(1,1'-Bicyclohexyl)-2-ol;bi(cyclohexan)-2-ol;Caswell No. 271;UNII-E59L8NAX9O;E59L8NAX9O;NSC 6094;NSC-6094;EINECS 229-430-9;EPA Pesticide Chemical Code 065001;(Bicyclohexyl)-2-ol;AI3-01023;NSC6094;SCHEMBL788170;DTXSID2041414;[1,1'-bi(cyclohexane)]-2-ol;MFCD00021278;NSC245150;AKOS009158680;NSC-245150;AS-58223;J101.933C;CS-0155333;D89257;EN300-1623878;Q27276888;2-((4-chlorophenylamino)methylene)malonicaciddiethylester;51175-62-3

Chemical Property of 2-Cyclohexylcyclohexanol

Chemical Property:

• Vapor Pressure: 0.000355mmHg at 25°C
• Melting Point: 31 °C
• Refractive Index: 1.4980-1.5020
• Boiling Point: 264 °C
• PKA: 15.31±0.40(Predicted)
• Flash Point: 118.6°C
• PSA: 20.23000
• Density: 0.98
• LogP: 3.11780
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 182.167065321
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

98% ^*data from raw suppliers

2-Cyclohexylcyclohexanol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2CCCCC2O

Technology Process of 2-Cyclohexylcyclohexanol

There total 52 articles about 2-Cyclohexylcyclohexanol 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: 90.0%

2-Phenylphenol (90-43-7,287950-96-3) → 2-cyclohexylcyclohexanol (6531-86-8)

Guidance literature:

With hydrogen; In tert-butyl alcohol; at 135 ℃; for 48h; Autoclave;

DOI:10.1021/acscatal.9b02193

Reference yield: 64.0%

cyclohexanol (108-93-0) → d,l-2-cyclohexylcyclohexanone (90-42-6) + 2-cyclohexylcyclohexanol (6531-86-8) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4)

Guidance literature:

With Mg-Al hydrotalcite supported copper; at 180 ℃; for 15h;

DOI:10.1016/j.catcom.2012.12.027

Reference yield:

2-(1-cyclohexenyl)cyclohexanone (1502-22-3) → 2-cyclohexylcyclohexanol (6531-86-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium; alcohol

2: hydrogen; palladium

With ethanol; hydrogen; sodium; palladium;

DOI:10.2165/00003495-200161020-00006

upstream raw materials:

dibenzofuran

d,l-2-cyclohexylcyclohexanone

2-(cyclohexen-1-yl)-1-cyclohexanol

2-Phenylphenol

Downstream raw materials:

C₂₅H₄₀O₂

(6-cyclohexylcyclohex-1-enyloxy)trimethylsilane

5-cyclohexylcyclohexa-1,3-diene

1,1'-bi(cyclohexan)-3-en-2-ol

Refernces

• 1、 -. "Method for preparing 2-Cyclohexyl cyclohexanol". Page/Page column 8-10. . Retrieved 2020/11/27.
• 2、 Gheewala, Chirag D.,Hirschi, Jennifer S.,Lee, Wai-Hang,Paley, Daniel W.,Vetticatt, Mathew J.,Lambert, Tristan H.. "Asymmetric Induction via a Helically Chiral Anion: Enantioselective Pentacarboxycyclopentadiene Br?nsted Acid-Catalyzed Inverse-Electron-Demand Diels-Alder Cycloaddition of Oxocarbenium Ions". . p. 3523 - 3527. Retrieved 2018/03/21.