1-Ethoxycyclohexene

Base Information

• Chemical Name: 1-Ethoxycyclohexene
• CAS No.: 1122-84-5
• Molecular Formula: C8H14O
• Molecular Weight: 126.199
• Hs Code.: 2909209000
• European Community (EC) Number: 694-373-2
• NSC Number: 13670
• UNII: UQ799LP3AW
• DSSTox Substance ID: DTXSID20279670
• Nikkaji Number: J540.173I
• Wikidata: Q82012410
• Mol file: 1122-84-5.mol

Synonyms:1-Ethoxycyclohexene;1122-84-5;Cyclohexene, 1-ethoxy-;1-ethoxycyclohex-1-ene;1-Cyclohexen-1-yl ethyl ether;Ethyl 1-cyclohexen-1-yl ether;Ether, 1-cyclohexen-1-yl ethyl;NSC-13670;NSC13670;UQ799LP3AW;SCHEMBL728353;Cyclohexene (9CI), 1-ethoxy-;DTXSID20279670;Phenetole, 2,3,4,5-tetrahydro-;NSC 13670;AKOS040767976;Ether (8CI), 1-cyclohexen-1-yl ethyl;FT-0601938;Benzamide,2-amino-N-[2-(2-pyridinyl)ethyl]-

Chemical Property of 1-Ethoxycyclohexene

Chemical Property:

• Vapor Pressure: 0.888mmHg at 25°C
• Refractive Index: 1.455
• Boiling Point: 187 °C at 760 mmHg
• Flash Point: 58.5 °C
• PSA: 9.23000
• Density: 0.89 g/cm³
• LogP: 2.48080
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 105

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-ETHOXYCYCLOHEXENE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CCCCC1

Technology Process of 1-Ethoxycyclohexene

There total 18 articles about 1-Ethoxycyclohexene 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: 59.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + orthoformic acid triethyl ester (122-51-0) → 1-ethoxycyclohexene (1122-84-5)

Guidance literature:

With sulfuric acid; cooling;

Reference yield: 44.0%

1,1-diethoxycyclohexane (1670-47-9) → 1-ethoxycyclohexene (1122-84-5)

Guidance literature:

With trimethylsilyl trifluoromethanesulfonate; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 72h; Inert atmosphere;

DOI:10.1021/ol401483j

Reference yield:

ethanol (64-17-5) + cyclohexene (110-83-8) → cyclohexenone (930-68-7) + 3-ethoxycyclohexan-1-one (13619-73-3) + 1-ethoxycyclohexene (1122-84-5)

Guidance literature:

With oxygen; at 100 ℃; under 4137.29 Torr; Autoclave;

DOI:10.1007/s11164-010-0169-7

upstream raw materials:

1,1-diethoxycyclohexane

toluene-4-sulfonic acid

triethyloxonium fluoroborate

cyclohexanone

Downstream raw materials:

2-benzoyloxycyclohexanone

2-fluorocyclohexanone

α-bromocyclohexanone dimethyl ketal

2-Bromo-1-ethoxy-1-methoxy-cyclohexane