2,5-Dimethyltetrahydrofuran

Base Information

• Chemical Name: 2,5-Dimethyltetrahydrofuran
• CAS No.: 1003-38-9
• Molecular Formula: C6H12O
• Molecular Weight: 100.161
• Hs Code.: 2932190090
• European Community (EC) Number: 213-707-6
• NSC Number: 12594
• DSSTox Substance ID: DTXSID10862510
• Nikkaji Number: J133.069A
• Mol file: 1003-38-9.mol

Synonyms:2,5-dimethyltetrahydrofuran;2,5-ME2-THF

Chemical Property of 2,5-Dimethyltetrahydrofuran

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 62.1mmHg at 25°C
• Melting Point: -45℃
• Refractive Index: n20/D 1.404(lit.)
• Boiling Point: 91 °C at 760 mmHg
• Flash Point: 26.7 °C
• PSA: 9.23000
• Density: 0.836 g/cm³
• LogP: 1.57380
• Storage Temp.: Refrigerator
• Water Solubility.: Practically insoluble in water
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 100.088815002
• Heavy Atom Count: 7
• Complexity: 53.2

Purity/Quality:

97% ^*data from raw suppliers

2,5-Dimethyltetrahydrofuran ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:Flammable.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi:Irritant
• Statements: 10
• Safety Statements: 16-29-33

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Ethers (
• Canonical SMILES: CC1CCC(O1)C
• Uses: 2,5-Dimethyltetrahydrofuran is used in preparation method for Hydrodeoxygenation of Oxygenated compounds to unsaturaded products.

Technology Process of 2,5-Dimethyltetrahydrofuran

There total 162 articles about 2,5-Dimethyltetrahydrofuran 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: 100.0%

2,5-hexanedione (110-13-4) → 2,5-dimethyltetrahydrofuran (1003-38-9)

Guidance literature:

With rhodium(III) iodide; hydrogen iodide; hydrogen; In water; toluene; at 125 ℃; for 5h; under 15514.9 Torr;

DOI:10.1002/chem.201201522

Reference yield:

N-(5-Hexenyl-2-oxy)pyridine-2(1H)-thione (171557-61-2) → 2,5-dimethyltetrahydrofuran (1003-38-9) + 2-methyloxane (10141-72-7)

Guidance literature:

With 2-Naphthalenethiol; In benzene-d6; at 15 ℃; for 0.0833333h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Irradiation;

DOI:10.1021/jo00126a021

Reference yield:

→ 2,5-dimethyltetrahydrofuran (1003-38-9)

Guidance literature:

DOI:10.1016/S0040-4020(01)98365-6 DOI:10.1016/S0040-4020(01)93532-X DOI:10.1016/S0040-4020(01)88972-9 DOI:10.1016/S0008-6215(00)84639-X DOI:10.1021/jo01036a033 DOI:10.1016/0022-1902(61)80194-2 DOI:10.1007/BF00907500 DOI:10.1021/jo00807a024 DOI:10.1039/C29690000981 DOI:10.1021/ja00894a013

upstream raw materials:

hexane-2,5-diol

1,5-Hexadien

1,2-epoxy-5-hexene

2-methyl-5-iodomethyltetrahydrofuran

Downstream raw materials:

1-cyclohexyl-2,5-dimethyl-pyrrolidine

N-Phenyl-2,5-dimethylpyrrolidine

2-iodohexane

meso-2,5-dibromo-hexane