2(3H)-Furanone, 5,5-dibutyldihydro-

Base Information

• Chemical Name: 2(3H)-Furanone, 5,5-dibutyldihydro-
• CAS No.: 7774-47-2
• Molecular Formula: C12H22 O2
• Molecular Weight: 198.305
• European Community (EC) Number: 231-875-9
• UNII: I7JV550U9G
• DSSTox Substance ID: DTXSID6064797
• Nikkaji Number: J326.553F
• Wikidata: Q27280547
• Metabolomics Workbench ID: 47243
• Mol file: 7774-47-2.mol

Synonyms:5,5-dibutyloxolan-2-one;7774-47-2;2(3H)-Furanone, 5,5-dibutyldihydro-;5,5-Dibutyldihydrofuran-2(3H)-one;Dibutylbutyrolactone;4,4-Dibutyl-gamma-butyrolactone;FEMA No. 2372;5,5-Dibutyldihydro-2(3H)-furanone;UNII-I7JV550U9G;4-Butyl-4-hydroxyoctanoic acid lactone;I7JV550U9G;EINECS 231-875-9;5,5-Dibutyl-4,5-dihydro-2(3H)furanone;4,4-Dibutyl-4-hydroxybutyric acid gamma-lactone;5,5-dibutyl dihydrofuran-2(3H)-one;4,4-Dibutyl-g-butyrolactone;SCHEMBL3095927;DTXSID6064797;FEMA 2372;CHEBI:171815;4,4-DIBUTYL-(GAMMA)-BUTYROLACTONE;4,4-DIBUTYL-.GAMMA.-BUTYROLACTONE;5,5-Dibutyl-4,5-dihydrofuran-2(3H)-one;5,5 - dibutyldihydrofuran - 2(3H) - one;4,4-DIBUTYL-.GAMMA.-BUTYROLACTONE [FHFI];Q27280547;4,4-DIBUTYL-4-HYDROXY-BUTYRIC ACID,(GAMMA)-LACTONE

Chemical Property of 2(3H)-Furanone, 5,5-dibutyldihydro-

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Boiling Point: 280.896°C at 760 mmHg
• Flash Point: 112.823°C
• PSA: 26.30000
• Density: 0.919g/cm³
• LogP: 3.44260
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1(CCC(=O)O1)CCCC

Technology Process of 2(3H)-Furanone, 5,5-dibutyldihydro-

There total 4 articles about 2(3H)-Furanone, 5,5-dibutyldihydro- 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%

nonanone-5 (502-56-7) → 5,5-dibutyldihydrofuran-2(3H)-one (7774-47-2)

Guidance literature:

With titanium(IV) tetrabutoxide; In dichloromethane; at 20 ℃; for 18h;

DOI:10.1021/ja00273a032

Reference yield: 35.0%

nonanone-5 (502-56-7) + acrylonitrile (107-13-1,25014-41-9) → 4-Butyl-4-hydroxy-octanenitrile (128143-97-5) + 5,5-dibutyldihydrofuran-2(3H)-one (7774-47-2)

Guidance literature:

In ethanol; sulfuric acid; at 30 ℃; electrochemical reaction: mercury pool cathode, platinum anode;

Reference yield:

4-butyloctane-1,4-diol (1186-14-7) → 5,5-dibutyldihydrofuran-2(3H)-one (7774-47-2) + butyric acid (107-92-6)

Guidance literature:

With potassium permanganate; benzyltri(n-butyl)ammonium chloride; In water; benzene; for 48h; Yield given. Yields of byproduct given; Ambient temperature;

DOI:10.1055/s-1987-28171

upstream raw materials:

4-butyloctane-1,4-diol

nonanone-5

acrylonitrile