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625-86-5

Basic Information
CAS No.: 625-86-5
Name: 2,5-Dimethylfuran
Article Data: 164
Molecular Structure:
Molecular Structure of 625-86-5 (2,5-Dimethylfuran)
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: FlammableF
Risk Codes: 11
Safety: 16
Transport Information: UN 1993 3/PG 2
PSA: 13.14000
LogP: 1.89640
Synthetic route
67-47-0

5-hydroxymethyl-2-furfuraldehyde

625-86-5

2,5-dimethylfuran

Conditions
ConditionsYield
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%
67-47-0

5-hydroxymethyl-2-furfuraldehyde

A

625-86-5

2,5-dimethylfuran

B

1333-74-0

hydrogen

Conditions
ConditionsYield
With ethanol at 210℃; for 5h; Reagent/catalyst; Autoclave;A 99%
B n/a
110-13-4

2,5-hexanedione

625-86-5

2,5-dimethylfuran

Conditions
ConditionsYield
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%
1883-75-6

2,5-bis-(hydroxymethyl)furan

625-86-5

2,5-dimethylfuran

Conditions
ConditionsYield
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;
620-02-0

5-Methylfurfural

625-86-5

2,5-dimethylfuran

Conditions
ConditionsYield
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%
18091-24-2

5-methyl-2-furfuryl acetate

625-86-5

2,5-dimethylfuran

Conditions
ConditionsYield
With methanol; sodium tetrahydroborate; nickel dichloride at 0℃; for 3h;95%
67-47-0

5-hydroxymethyl-2-furfuraldehyde

A

534-22-5

2-methylfuran

B

98-00-0

(2-furyl)methyl alcohol

C

625-86-5

2,5-dimethylfuran

Conditions
ConditionsYield
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%
1623-88-7

5-chloromethylfurfural

625-86-5

2,5-dimethylfuran

Conditions
ConditionsYield
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
5426-09-5

7-oxanorborn-5-ene-2,3-dicarboxylic anhydride

74-88-4

methyl iodide

625-86-5

2,5-dimethylfuran

Conditions
ConditionsYield
With aluminum (III) chloride at 120℃; for 2h; Reagent/catalyst; Temperature;93%
61973-96-4

N-(5-methyl-2-furanylmethylene)-aniline

A

625-86-5

2,5-dimethylfuran

B

62-53-3

aniline

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In diethyl ether under 1535.79 Torr; for 0.666667h; Solvent;A n/a
B 92%
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Chemistry

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

Uses

 2,5-Dimethyl furane (CAS NO.625-86-5) is used as a pharmaceutical intermediate and potential biofuel and used for organic synthesis.

Toxicity Data With Reference

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.

 

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

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: FlammableF,HarmfulXn
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

Specification

 2,5-Dimethyl furane (CAS NO.625-86-5), its Synonyms are 2,5-Dimethylfuran ; Furan, 2,5-dimethyl- ; 2.5-Dimethyl furan .