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CAS No.: | 625-86-5 |
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Name: | 2,5-Dimethylfuran |
Article Data: | 164 |
Molecular Structure: | |
Formula: | C6H8O |
Molecular Weight: | 96.1289 |
Synonyms: | Furan, 2,5-dimethyl-;2.5-Dimethyl furan;2,5-Dimthylfuran; |
EINECS: | 210-914-3 |
Density: | 0.917 g/cm3 |
Melting Point: | -62 °C |
Boiling Point: | 93.089 °C at 760 mmHg |
Flash Point: | 29°F |
Solubility: | Slightly miscible with water. Miscible with ethanol and fats. |
Appearance: | clear colorless to amber liquid |
Hazard Symbols: | F |
Risk Codes: | 11 |
Safety: | 16 |
Transport Information: | UN 1993 3/PG 2 |
PSA: | 13.14000 |
LogP: | 1.89640 |
Conditions | Yield |
---|---|
With hydrogen under 2250.23 Torr; for 15h; | 100% |
With CuZnCo-2.5 In ethanol at 200℃; for 0.5h; Temperature; Reagent/catalyst; Solvent; Autoclave; | 99.8% |
With hydrogen at 160℃; under 7500.75 Torr; for 1.5h; Catalytic behavior; Time; chemoselective reaction; | 98.1% |
Conditions | Yield |
---|---|
With ethanol at 210℃; for 5h; Reagent/catalyst; Autoclave; | A 99% B n/a |
Conditions | Yield |
---|---|
With MCM-36_M56 zeolite at 349.84℃; under 760.051 Torr; for 0.5h; | 98% |
With choline chloride; urea at 80℃; for 12h; Paal-Knorr Furan Synthesis; | 95% |
η-benzene-η-pentamethylcyclopentadienylrhodium(III) tetrafluoroborate at 200℃; for 5h; aldol condensation; | 90% |
Conditions | Yield |
---|---|
With tetradecane; hydrogen In ethanol at 200℃; under 22502.3 Torr; for 15h; Reagent/catalyst; Temperature; Pressure; | 97.6% |
With formic acid; sulfuric acid; palladium on carbon In tetrahydrofuran for 15h; Reflux; | |
With formic acid; sulfuric acid; palladium on activated charcoal In tetrahydrofuran for 15h; Reflux; |
Conditions | Yield |
---|---|
With hydrogen; pyrographite; N,N-dimethyl-formamide; palladium dichloride under 2585.81 Torr; for 1.75h; | 96% |
With methanol; Cu/Al2O3 at 240℃; for 6h; Reagent/catalyst; Sealed tube; | 72.8% |
With potassium tert-butylate; hydrazine hydrate In iso-butanol at 120℃; for 4h; Wolff-Kishner Reduction; | 62% |
5-methyl-2-furfuryl acetate
2,5-dimethylfuran
Conditions | Yield |
---|---|
With methanol; sodium tetrahydroborate; nickel dichloride at 0℃; for 3h; | 95% |
5-hydroxymethyl-2-furfuraldehyde
A
2-methylfuran
B
(2-furyl)methyl alcohol
C
2,5-dimethylfuran
Conditions | Yield |
---|---|
With hydrogen In 1,4-dioxane at 180℃; under 11251.1 Torr; for 2h; Catalytic behavior; | A n/a B n/a C 93.4% |
Conditions | Yield |
---|---|
With palladium on activated charcoal; hydrogen; N,N-dimethyl-formamide In toluene at 35 - 43℃; under 258.581 - 2585.81 Torr; Reagent/catalyst; Solvent; Pressure; Temperature; | 93% |
With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; palladium/alumina; hydrogen In toluene at 30 - 35℃; under 2828.7 - 3345.86 Torr; for 2h; Reagent/catalyst; Solvent; | 84% |
With palladium on activated charcoal; hydrogen |
Conditions | Yield |
---|---|
With aluminum (III) chloride at 120℃; for 2h; Reagent/catalyst; Temperature; | 93% |
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen In diethyl ether under 1535.79 Torr; for 0.666667h; Solvent; | A n/a B 92% |
Molecular Structure of 2,5-Dimethyl furane (CAS NO.625-86-5):
IUPAC Name: 2,5-Dimethylfuran
Molecular Formula: C6H8O
Molecular Weight: 96.13
EINECS: 210-914-3
Melting Point: -62 °C
Index of Refraction: 1.45
Molar Refractivity: 28.2 cm3
Molar Volume: 104.7 cm3
Surface Tension: 25.9 dyne/cm
Density: 0.917 g/cm3
Flash Point: 29 °F
Enthalpy of Vaporization: 31.91 kJ/mol
Boiling Point: 93.1 °C at 760 mmHg
Vapour Pressure: 57.1 mmHg at 25 °C
storage temp.: Flammables area
Classification Code: Mutation data
Appearance: clear colorless to amber liquid
Canonical SMILES: CC1=CC=C(O1)C
InChI: InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3
InChIKey: GSNUFIFRDBKVIE-UHFFFAOYSA-N
Product Categories: Furans; furnan Flavor; Building Blocks; Heterocyclic Building Blocks
Air & Water Reactions: Highly flammable, Insoluble in water
2,5-Dimethyl furane (CAS NO.625-86-5) is used as a pharmaceutical intermediate and potential biofuel and used for organic synthesis.
1. | dnr-bcs 190 µg/disc | DFSCDX Developments in Food Science. 13 (1986),353. | ||
2. | cyt-ham:ovr 8 mmol/L | CALEDQ Cancer Letters (Shannon, Ireland). 13 (1981),89. | ||
3. | ihl-rat LCLo:500 ppm/4H | JIHTAB Journal of Industrial Hygiene and Toxicology. 31 (1949),343. |
Reported in EPA TSCA Inventory.
Moderately toxic by inhalation. Mutation data reported. A very dangerous fire hazard when exposed to heat or flame; can react vigorously with oxidizing materials. Keep away from heat and open flame. To fight fire, use alcohol foam, foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety Information of 2,5-Dimethyl furane (CAS NO.625-86-5):
Hazard Codes: F,Xn
Risk Statements: 11-22
R11:Highly flammable.
R22:Harmful if swallowed.
Safety Statements: 16
S16:Keep away from sources of ignition.
RIDADR: UN 1993 3/PG 2
WGK Germany: 3
RTECS: LU0875000
F: 8
Hazard Note: Harmful/Flammable
HazardClass: 3
PackingGroup: II
2,5-Dimethyl furane (CAS NO.625-86-5), its Synonyms are 2,5-Dimethylfuran ; Furan, 2,5-dimethyl- ; 2.5-Dimethyl furan .