1-Ethylcyclohexanol

Base Information

• Chemical Name: 1-Ethylcyclohexanol
• CAS No.: 1940-18-7
• Molecular Formula: C8H16O
• Molecular Weight: 128.214
• Hs Code.: 2906199090
• European Community (EC) Number: 621-537-2
• NSC Number: 25550
• UNII: 1VES5DBC5C
• DSSTox Substance ID: DTXSID70173018
• Nikkaji Number: J72.714H
• Wikidata: Q27252948
• Mol file: 1940-18-7.mol

Synonyms:1-Ethyl-1-cyclohexanol;1-Ethyl-1-hydroxycyclohexane;NSC 25550;

Chemical Property of 1-Ethylcyclohexanol

Chemical Property:

• Vapor Pressure: 0.608mmHg at 25°C
• Melting Point: 34.5°C
• Refractive Index: 1.464
• Boiling Point: 165.999 °C at 760 mmHg
• PKA: 15.38±0.20(Predicted)
• Flash Point: 68.17 °C
• PSA: 20.23000
• Density: 0.919 g/cm³
• LogP: 2.09160
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 82.6

Purity/Quality:

97% ^*data from raw suppliers

1-Ethylcyclohexanol ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1(CCCCC1)O

Technology Process of 1-Ethylcyclohexanol

There total 28 articles about 1-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: 100.0%

ethylmagnesium bromide (925-90-6) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-ethylcyclohexanol (1940-18-7)

Guidance literature:

With methylaluminum bis(2,6-di-tert-butylphenoxide); In diethyl ether; toluene; at -78 ℃; for 2h;

DOI:10.1021/ja00219a038

Reference yield: 95.0%

2-methyl-1-oxaspiro[2.5]octane (17328-74-4) → 1-ethylcyclohexanol (1940-18-7)

Guidance literature:

With lithium triethylborohydride;

DOI:10.1021/ja00173a045

Reference yield: 94.0%

1-Ethynylcyclohexan-1-ol (78-27-3) → 1-vinylcyclohexanol (1940-19-8) + 1-ethylcyclohexanol (1940-18-7)

Guidance literature:

With hydrogen; copper-palladium; silica gel; In ethanol; at 25 ℃; under 760 Torr; Kinetics;

DOI:10.1021/jo001246p

upstream raw materials:

ethylmagnesium iodide

cyclohexanone

1-Ethynylcyclohexan-1-ol

ethyllithium

Downstream raw materials:

<1-Aethyl-cyclohexyl>--aether

1-ethylcyclohexan-1-amine

1-Ethyl-1-mercapto-cyclohexen

<1-Aethyl-cyclohexyl>--aether

Refernces

• 1、 Martin, Teo,Galeotti, Marco,Salamone, Michela,Liu, Fengjiao,Yu, Yanmin,Duan, Meng,Houk,Bietti, Massimo. "Deciphering Reactivity and Selectivity Patterns in Aliphatic C-H Bond Oxygenation of Cyclopentane and Cyclohexane Derivatives". supporting information. p. 9925 - 9937. Retrieved 2021/06/30.
• 2、 St John-Campbell, Sahra,Ou, Alex K.,Bull, James A.. "Palladium-Catalyzed C(sp3)?H Arylation of Primary Amines Using a Catalytic Alkyl Acetal to Form a Transient Directing Group". supporting information. p. 17838 - 17843. Retrieved 2018/11/23.