1,4-Epoxycyclohexane

Base Information

• Chemical Name: 1,4-Epoxycyclohexane
• CAS No.: 279-49-2
• Molecular Formula: C6H10 O
• Molecular Weight: 98.1448
• Hs Code.: 29109000
• European Community (EC) Number: 205-998-3
• NSC Number: 54357
• DSSTox Substance ID: DTXSID10182189
• Nikkaji Number: J100.702E
• Wikidata: Q83052840
• Mol file: 279-49-2.mol

Synonyms:7-oxabicyclo(2.2.1)heptane

Chemical Property of 1,4-Epoxycyclohexane

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS LIQUID
• Vapor Pressure: 17.7mmHg at 25°C
• Refractive Index: n20/D 1.448(lit.)
• Boiling Point: 121.3°Cat760mmHg
• Flash Point: 12.8°C
• PSA: 9.23000
• Density: 1.019g/cm³
• LogP: 1.32780
• Storage Temp.: Flammables area
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 98.073164938
• Heavy Atom Count: 7
• Complexity: 62.2

Purity/Quality:

99% ^*data from raw suppliers

7-Oxabicyclo[2.2.1]Heptane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F
• Statements: 11
• Safety Statements: 16-29-33

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC2CCC1O2

Technology Process of 1,4-Epoxycyclohexane

There total 21 articles about 1,4-Epoxycyclohexane 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: 84.0%

(C4H9)3SnOC6H10Br → 7-oxabicyclo(2.2.1)heptane (279-49-2)

Guidance literature:

decompn. at 150°C for 0.5 h;

Reference yield: 77.0%

(C4H9)3SnOC6H10Cl → 7-oxabicyclo(2.2.1)heptane (279-49-2)

Guidance literature:

decompn. at 200°C for 0.5 h;

Reference yield: 0.488%

cyclohexane (110-82-7,25012-93-5) → 7-oxabicyclo(2.2.1)heptane (279-49-2) + hex-5-en-1-al (764-59-0) + cyclohexane-1,2-epoxide (286-20-4) + cyclohexene (110-83-8)

Guidance literature:

With tetramethylbutane; oxygen; at 753 ℃; for 0.00555556h; under 15 Torr; Further Variations:; Temperatures; Product distribution; Kinetics;

DOI:10.1039/b101314i

upstream raw materials:

methanol

cyclohexane-1,4-diol

1,4-Cyclohexanediol

7-oxa-bicyclo[2.2.1]hept-2Z-ene

Downstream raw materials:

trans-1,4-diacetoxy-cyclohexane

trans-1,4-dibromocyclohexane

trans-4-hydroxycyclohexyl chloride

trans-4-Bromcycylohexylbenzoat