2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone

Base Information

• Chemical Name: 2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone
• CAS No.: 27538-10-9
• Molecular Formula: C7H10O3
• Molecular Weight: 142.155
• Hs Code.: 2932190090
• European Community (EC) Number: 248-514-6
• UNII: VRF4YF0C3X
• DSSTox Substance ID: DTXSID40885393
• Nikkaji Number: J75.508G
• Wikidata: Q27291987
• Metabolomics Workbench ID: 46179
• Mol file: 27538-10-9.mol

Synonyms:2-ethyl-4-hydroxy-5-methyl-3(2H)-furanone;4-HEMF;4-hydroxy-2-ethyl-5-methyl-3(2H)-furanone;4-hydroxy-5-ethyl-2-methyl-3(2H)-furanone;5-ethyl-4-hydroxy-2-methyl-3(2H)-furanone;EHMF cpd

Chemical Property of 2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone

Chemical Property:

• Appearance/Colour: YELLOW LIQUID
• Vapor Pressure: 0.0121mmHg at 25°C
• Refractive Index: n20/D 1.512(lit.)
• Boiling Point: 231 °C at 760 mmHg
• PKA: 9.62±0.40(Predicted)
• Flash Point: 93.5 °C
• PSA: 46.53000
• Density: 1.184 g/cm³
• LogP: 1.54390
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 142.062994177
• Heavy Atom Count: 10
• Complexity: 193

Purity/Quality:

99.9% ^*data from raw suppliers

2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone >97.0%(T) ^*data from reagent suppliers

Safty Information:

• Statements: 22
• Safety Statements: 23-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1C(=O)C(=C(O1)C)O

Technology Process of 2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone

There total 10 articles about 2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone 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: 48.0%

3-Ethyl-2,2'-dimethoxy-3'-methyl-[2,2']bioxiranyl (80037-19-0) → homofuraneol (27538-10-9)

Guidance literature:

With sulfuric acid; In methanol; for 2h; Heating;

DOI:10.1055/s-1981-29569

Reference yield:

6,7-Dideoxyheptose → homofuraneol (27538-10-9) + 4-hydroxy-2-methyl-5-ethyl-3-oxo-2H-furan (27538-09-6)

Guidance literature:

With piperidine; acetic acid; In ethanol; at 80 ℃; for 20h; Yield given. Yields of byproduct given;

DOI:10.1021/jo00168a023

Reference yield:

→ homofuraneol (27538-10-9) + 4-hydroxy-2-methyl-5-ethyl-3-oxo-2H-furan (27538-09-6)

Guidance literature:

upstream raw materials:

3-Ethyl-2,2'-dimethoxy-3'-methyl-[2,2']bioxiranyl

D-Xylose

L-alanin

D-xylose

Refernces

• 1、 Blank, Imre,Fay, Laurent B.. "Formation of 4-hydroxy-2,5-dimethyl-3(2H)-furanone and 4-hydroxy-2(or 5)-ethyl-5(or 2)-methyl-3(2H)-furanone through maillard reaction based on pentose sugars". . p. 531 - 536. Retrieved 1996.
• 2、 Klein, Dorothee,Fink, Barbara,Arold, Beate,Eisenreich, Wolfgang,Schwab, Wilfried. "Functional characterization of enone oxidoreductases from strawberry and tomato fruit". . p. 6705 - 6711. Retrieved 2008/09/17.