2-Cyclohexylpropan-2-ol

Base Information

• Chemical Name: 2-Cyclohexylpropan-2-ol
• CAS No.: 16664-07-6
• Molecular Formula: C9H18 O
• Molecular Weight: 142.241
• Hs Code.: 2906199090
• European Community (EC) Number: 240-706-8
• DSSTox Substance ID: DTXSID4066094
• Nikkaji Number: J318.281I
• Wikidata: Q81992670
• Mol file: 16664-07-6.mol

Synonyms:2-cyclohexylpropan-2-ol;16664-07-6;1,1-Dimethylcyclohexylmethanol;2-cyclohexyl-2-propanol;Cyclohexanemethanol, .alpha.,.alpha.-dimethyl-;EINECS 240-706-8;Cyclohexanemethanol, alpha,alpha-dimethyl-;SCHEMBL879449;DTXSID4066094;MFCD11502454;AKOS009997170;AS-53026;CS-0051915;EN300-90314;P15991;Z449374448

Chemical Property of 2-Cyclohexylpropan-2-ol

Chemical Property:

• Vapor Pressure: 0.0842mmHg at 25°C
• Boiling Point: 199.7°Cat760mmHg
• PKA: 15.31±0.29(Predicted)
• Flash Point: 83.3°C
• PSA: 20.23000
• Density: 0.925g/cm³
• LogP: 2.33760
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 142.135765193
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

98%Min ^*data from raw suppliers

2-CYCLOHEXYLPROPAN-2-OL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1CCCCC1)O

Technology Process of 2-Cyclohexylpropan-2-ol

There total 20 articles about 2-Cyclohexylpropan-2-ol 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: 88.0%

1-methyl-1-phenylethyl alcohol (617-94-7) → 2-cyclohexyl-2-propanol (16664-07-6)

Guidance literature:

With hydrogen; In water; at 50 ℃; for 3h; under 15001.5 Torr; chemoselective reaction;

DOI:10.1039/c6cy00899b

Reference yield: 68.0%

1-bromocyclohexane (108-85-0) + acetone (67-64-1) → 2-cyclohexyl-2-propanol (16664-07-6)

Guidance literature:

With lithium; In diethyl ether; for 0.5h; ultrasonic agitation;

DOI:10.1021/ja00547a016

Reference yield: 25.0%

(1-methylethyl)-cyclohexane (696-29-7) → 2-cyclohexyl-2-propanol (16664-07-6)

Guidance literature:

With [Fe₄^III(μ-O)₂(μ-acetate)₆(2,2'-bipyridine)₂(H₂O)₂](NO₃^-)(OH^-); dihydrogen peroxide; acetic acid; In water; acetonitrile; at 32 ℃; for 3h; Catalytic behavior;

DOI:10.1016/j.molstruc.2018.11.062

upstream raw materials:

methyl magnesium iodide

methyl cyclohexylcarboxylate

ethyl cyclohexanecarboxylate

cyclohexylmagnesiumchloride

Downstream raw materials:

(α-chloro-isopropyl)-cyclohexane

1-isopropylcyclohexene

isopropenylcyclohexane

(α-bromo-isopropyl)-cyclohexane

Refernces

• 1、 Dey, Dhananjay,Patra, Moumita,Al-Hunaiti, Afnan,Yadav, Hare Ram,Al-mherat, Afrah,Arar, Sharif,Maji, Milan,Choudhury, Angshuman Roy,Biswas, Bhaskar. "Synthesis, structural characterization and C–H activation property of a tetra-iron(III) cluster". . p. 220 - 226. Retrieved 2019/01/05.
• 2、 Morioka, Yuna,Matsuoka, Aki,Binder, Kellie,Knappett, Benjamin R.,Wheatley, Andrew E.H.,Naka, Hiroshi. "Selective hydrogenation of arenes to cyclohexanes in water catalyzed by chitin-supported ruthenium nanoparticles". . p. 5801 - 5805. Retrieved 2016/08/06.