1,1-Diethoxycyclohexane

Base Information

• Chemical Name: 1,1-Diethoxycyclohexane
• CAS No.: 1670-47-9
• Molecular Formula: C10H20O2
• Molecular Weight: 172.268
• Hs Code.: 2911000000
• European Community (EC) Number: 216-798-0
• UNII: 84QSY8U161
• DSSTox Substance ID: DTXSID6061868
• Nikkaji Number: J147.408A
• Wikidata: Q27269542
• Mol file: 1670-47-9.mol

Synonyms:1,1-diethoxycyclohexane

Chemical Property of 1,1-Diethoxycyclohexane

Chemical Property:

• Appearance/Colour: Clear colorless liquid
• Vapor Pressure: 0.341mmHg at 25°C
• Refractive Index: n20/D 1.4360(lit.)
• Boiling Point: 206.4 °C at 760 mmHg
• Flash Point: 60.2 °C
• PSA: 18.46000
• Density: 0.91 g/cm³
• LogP: 2.71980
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 109

Purity/Quality:

97% ^*data from raw suppliers

Cyclohexanone diethyl ketal 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC1(CCCCC1)OCC
• Uses: Cyclohexanone diethyl ketal may be used in the preparation of 1-ethoxycyclohexene.

Technology Process of 1,1-Diethoxycyclohexane

There total 23 articles about 1,1-Diethoxycyclohexane 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%

ethanol (64-17-5) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + orthoformic acid triethyl ester (122-51-0) → 1,1-diethoxycyclohexane (1670-47-9)

Guidance literature:

With povidone-iodine; at 30 ℃; for 6h; Green chemistry;

DOI:10.1016/j.tet.2021.132250

Reference yield: 100.0%

ethanol (64-17-5) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1,1-diethoxycyclohexane (1670-47-9)

Guidance literature:

With trimethyl orthoformate; at 60 ℃; for 8h; under 6000480 Torr;

DOI:10.1055/s-2005-872229

Reference yield: 99.7%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + ethylene glycol (107-21-1) → 1,1-diethoxycyclohexane (1670-47-9)

Guidance literature:

With 0.5H₃N*0.5Ti⁽⁴⁺⁾*H⁽¹⁺⁾*O₄₀PW₁₂^(3-); at 110 ℃; for 1h; Reagent/catalyst; Temperature;

upstream raw materials:

diethyl sulphite

cyclohexanone

orthoformic acid triethyl ester

ethanol

Downstream raw materials:

2-ethoxy-cyclohex-1-enecarbaldehyde

4-cyclohexylidene-2-thioxo-thiazolidin-5-one

cyclohexanol

cyclohexyl ethyl ether