5-Butyl-5-ethyldihydrofuran-2(3H)-one

Base Information

• Chemical Name: 5-Butyl-5-ethyldihydrofuran-2(3H)-one
• CAS No.: 68188-98-7
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.252
• European Community (EC) Number: 269-171-9
• DSSTox Substance ID: DTXSID4052398
• Nikkaji Number: J317.386K
• Mol file: 68188-98-7.mol

Synonyms:5-Butyl-5-ethyldihydrofuran-2(3H)-one;68188-98-7;5-butyl-5-ethyloxolan-2-one;2(3H)-Furanone, 5-butyl-5-ethyldihydro-;EINECS 269-171-9;4-Ethyl-4-octanolide;SCHEMBL3101853;DTXSID4052398;5-Ethyl-5-butyltetrahydrofuran-2-one;AS-77436;5 - butyl - 5 - ethyldihydrofuran - 2(3H) - one

Chemical Property of 5-Butyl-5-ethyldihydrofuran-2(3H)-one

Chemical Property:

• Vapor Pressure: 0.021mmHg at 25°C
• Boiling Point: 251°C at 760 mmHg
• Flash Point: 97.9°C
• PSA: 26.02000
• Density: 0.931g/cm³
• LogP: 3.29540
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 5-Butyl-5-ethyldihydrofuran-2(3H)-one

There total 6 articles about 5-Butyl-5-ethyldihydrofuran-2(3H)-one 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: 90.0%

4-ethyloct-1-yn-4-ol (1193092-74-8) → 5-butyl-5-ethyldihydrofuran-2(3H)-one (68188-98-7)

Guidance literature:

With methanesulfonic acid; C₂₁H₁₂F₉P*C₈H₁₈NO₄S₂^(1-)*Au⁽¹⁺⁾; 3-chloro-benzenecarboperoxoic acid; In 1,2-dichloro-ethane; at 20 ℃; for 5h;

DOI:10.1021/ol302323a DOI:10.1021/ol302323a

Reference yield: 80.0%

heptan-3-ol (589-82-2) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → 5-butyl-5-ethyldihydrofuran-2(3H)-one (68188-98-7)

Guidance literature:

With Quinuclidine; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; tetrabutylammonium dihydrogen phosphate; In acetonitrile; at 27 ℃; Irradiation;

DOI:10.1126/science.aac8555

Reference yield: 64.0%

4-ethyloctanoic acid (16493-80-4) → 5-butyl-5-ethyldihydrofuran-2(3H)-one (68188-98-7)

Guidance literature:

With sodium persulfate; In water; at 85 - 90 ℃; for 5h;

upstream raw materials:

4-ethyloctanoic acid

4-ethyloct-1-yn-4-ol

heptan-3-one

heptan-3-ol