3-Ethylcyclohexanol

Base Information

• Chemical Name: 3-Ethylcyclohexanol
• CAS No.: 4534-76-3
• Molecular Formula: C8H16 O
• Molecular Weight: 128.214
• European Community (EC) Number: 865-422-7
• NSC Number: 21115
• DSSTox Substance ID: DTXSID10281282
• Nikkaji Number: J174.547F
• Mol file: 4534-76-3.mol

Synonyms:3-ethylcyclohexanol;3-ethylcyclohexan-1-ol;4534-76-3;Cyclohexanol, 3-ethyl-;NSC21115;3-ethyl-cyclohexan-1-ol;SCHEMBL2163319;DTXSID10281282;AC6164;MFCD18917264;NSC-21115;AKOS013411019;SB84657;SY033582;CS-0452622;EN300-76884;Z1192057272

Chemical Property of 3-Ethylcyclohexanol

Chemical Property:

• Vapor Pressure: 0.194mmHg at 25°C
• Boiling Point: 185.7°Cat760mmHg
• Flash Point: 72.2°C
• Density: 0.909g/cm³
• 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: 80.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CCCC(C1)O

Technology Process of 3-Ethylcyclohexanol

There total 9 articles about 3-Ethylcyclohexanol 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: 75.0%

Bicyclo<4.2.0>-octanon-(2) → 3-ethyl cyclohexanone (64847-85-4,74006-73-8,74006-74-9,22461-89-8) + 3-ethyl-1-cyclohexanol (4534-76-3)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; samarium diiodide; tert-butyl alcohol; In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1016/S0040-4039(03)00085-6

Reference yield:

ethyl-cyclohexane (1678-91-7) → 2-ethylcyclohexanol (3274-96-2,4276-43-1,69854-63-3,84275-94-5,89886-25-9,89886-26-0,95529-72-9,116697-35-9,3760-20-1) + 3-ethyl cyclohexanone (64847-85-4,74006-73-8,74006-74-9,22461-89-8) + 3-ethyl-1-cyclohexanol (4534-76-3) + 4-ethylcyclohexanol (4534-74-1)

Guidance literature:

With perchloric acid; dihydrogen peroxide; In water; acetonitrile; tert-butyl alcohol; at 59.84 ℃; for 2h; regioselective reaction;

DOI:10.1038/nchem.648

Reference yield:

4-Ethylguaiacol (2785-89-9) → 3-ethyl-1-cyclohexanol (4534-76-3) + 4-ethylcyclohexanol (4534-74-1)

Guidance literature:

With hydrogen; In Hexadecane; at 300 ℃; for 1h; under 30003 Torr; Autoclave; Inert atmosphere;

DOI:10.1002/cssc.201403375

upstream raw materials:

3-ethylphenol

ethyl-cyclohexane

4-Ethylguaiacol

3-Hydroxyacetophenone

Downstream raw materials:

3-ethyl cyclohexanone

Refernces

• 1、 Schutyser, Wouter,Van Den Bosch, Sander,Dijkmans, Jan,Turner, Stuart,Meledina, Maria,Van Tendeloo, Gustaaf,Debecker, Damien P.,Sels, Bert F.. "Selective nickel-catalyzed conversion of model and lignin-derived phenolic compounds to cyclohexanone-based polymer building blocks". . p. 1805 - 1818. Retrieved 2015/06/02.
• 2、 Kamata, Keigo,Yonehara, Kazuhiro,Nakagawa, Yoshinao,Uehara, Kazuhiro,Mizuno, Noritaka. "Efficient stereo- and regioselective hydroxylation of alkanes catalysed by a bulky polyoxometalate". scheme or table. p. 478 - 483. Retrieved 2010/09/17.