Oxocane

Base Information

• Chemical Name: Oxocane
• CAS No.: 6572-98-1
• Molecular Formula: C7H14O
• Molecular Weight: 114.188
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID40506551
• Nikkaji Number: J247.752A
• Wikidata: Q10342732
• Mol file: 6572-98-1.mol

Synonyms:OXOCANE;Oxacyclooctane;6572-98-1;SCHEMBL347229;DTXSID40506551;HZIVRQOIUMAXID-UHFFFAOYSA-N;Q10342732

Chemical Property of Oxocane

Chemical Property:

• Vapor Pressure: 9.31mmHg at 25°C
• Boiling Point: 136°C at 760 mmHg
• Flash Point: 27.3°C
• PSA: 9.23000
• Density: 0.858g/cm³
• LogP: 1.96710
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 114.104465066
• Heavy Atom Count: 8
• Complexity: 46.3

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCOCCC1

Technology Process of Oxocane

There total 1 articles about Oxocane 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:

oxocan-2-one (539-87-7) → oxocane (6572-98-1)

Guidance literature:

With sodium hydroxide; di-tert-butyl peroxide; trichlorosilane; water; Yield given. Multistep reaction; 1) 25 deg C, irradiation, 4.0 h, 2) CH₂Cl₂, 23-25 deg C, 48 h;

DOI:10.1021/jo00027a051

Reference yield: 90.0%

oxocane (6572-98-1) + benzoic acid (65-85-0,8013-63-6) → C14H18O3

Guidance literature:

With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide; In water; ethyl acetate; at 80 ℃; for 5h;

DOI:10.1002/chem.201100192

upstream raw materials:

oxocan-2-one

Refernces