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CAS No.: | 534-22-5 |
---|---|
Name: | 2-Methylfuran |
Article Data: | 248 |
Molecular Structure: | |
Formula: | C5H6O |
Molecular Weight: | 82.102 |
Synonyms: | 5-Methylfuran;Methylfuran;alpha-Methylfuran;AI3-24245;BRN 0103733;CCRIS 2920;NSC 3707;Silvan;Sylvan;UN2301; |
EINECS: | 208-594-5 |
Density: | 0.928 g/cm3 |
Melting Point: | -88.7 °C |
Boiling Point: | 64.536 °C at 760 mmHg |
Flash Point: | -26 °C |
Solubility: | Water: 0.3 g/100 mL (20 °C) |
Appearance: | Colorless to pale yellow green clear liquid |
Hazard Symbols: | F,T |
Risk Codes: | 11-23-23/24/25 |
Safety: | 16-33-45-7/9-9 |
Transport Information: | UN 2301 3/PG 2 |
PSA: | 13.14000 |
LogP: | 1.58800 |
Conditions | Yield |
---|---|
With hydrogen under 2250.23 Torr; for 15h; | 100% |
With hydrogen at 200℃; under 760.051 Torr; | 95.5% |
With hydrogen at 120℃; under 760.051 Torr; for 24h; Catalytic behavior; Reagent/catalyst; Temperature; | 94.5% |
Conditions | Yield |
---|---|
With hydrogen; Cu-based catalyst at 210℃; Product distribution; Further Variations:; Temperatures; reaction in vapour phase, fixed bed reactor, coupled dehydrogenation reactions of title comp. and INO 160; | A 96.5% B 99.4% |
Conditions | Yield |
---|---|
With hydrogen In 1,2-dichloro-ethane at 25℃; under 2250.23 Torr; for 1.5h; Catalytic behavior; Reagent/catalyst; Temperature; Pressure; Time; Sealed tube; Green chemistry; | 98% |
With formic acid; sulfuric acid; Pd/C In tetrahydrofuran | 90% |
With methanol; toluene-4-sulfonic acid at 25℃; for 18h; Inert atmosphere; Sealed tube; UV-irradiation; | 50% |
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 carbon dioxide; palladium/alumina at 145℃; under 45004.5 Torr; for 4h; Green chemistry; | 91.5% |
With Pd/γ-Al2O3 In 1,4-dioxane at 180℃; for 16h; Temperature; Reagent/catalyst; Inert atmosphere; | 49.6% |
With bis(1,5-cyclooctadiene)nickel (0); tricyclohexylphosphine In cyclohexane at 140℃; for 24h; Inert atmosphere; Glovebox; | 90 %Chromat. |
With 5%-palladium/activated carbon In 1,4-dioxane at 120℃; for 15h; |
A
2-methylfuran
B
(E)-1,1,3,3-Tetrachlor-2,4-dineopentyl-1,3-disilacyclobutan
C
3,3-Dichlor-4-trichlorsilyl-6,6-dimethyl-3-silahept-1-en
Conditions | Yield |
---|---|
In neat (no solvent) at 170℃; for 72h; vacuum; Further byproducts given; | A n/a B n/a C n/a D 90% |
The 2-Methylfuran with CAS registry number of 534-22-5 is also known as Furan, 2-methyl-. The IUPAC name and product name are the same. It belongs to product categories of Isotope Labeled Compounds; Furan; Intermediate. Its EINECS registry number is 208-594-5. In addition, the formula is C5H6O and the molecular weight is 82.10. This chemical is a colorless to pale yellow green clear liquid and should be sealed in ventilated, cool, dry place away from heat and fire.
Physical properties about 2-Methylfuran are: (1)ACD/LogP: 1.79; (2)ACD/LogD (pH 5.5): 1.791; (3)ACD/LogD (pH 7.4): 1.791; (4)ACD/BCF (pH 5.5): 13.517; (5)ACD/BCF (pH 7.4): 13.517; (6)ACD/KOC (pH 5.5): 224.448; (7)ACD/KOC (pH 7.4): 224.448; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.441; (10)Molar Refractivity: 23.377 cm3; (11)Molar Volume: 88.503 cm3; (12)Surface Tension: 25.509 dyne/cm; (13)Density: 0.928 g/cm3; (14)Enthalpy of Vaporization: 29.39 kJ/mol; (15)Boiling Point: 64.536 °C at 760 mmHg; (16)Vapour Pressure: 176.098 mmHg at 25 °C.
Preparation of 2-Methylfuran: it is prepared by hydrogenation reaction of hydrogen and furfural with the molar ratio of 10:1. The reaction needs catalysts copper and aluminum or copper at the temperature of 200-210 °C and the pressure of 300-500 kPa with feeding rate of 0.3 kg/(L·h).
Uses of 2-Methylfuran. This chemcial is used for making drugs, pesticides and flavors or fragrances. What's more, it can be used as good solvent, intermediate in organic synthesis and it also has a narcotic effect. It is used to produce 1-(5-methyl-[2]furyl)-butan-1-one by reaction with butyric acid anhydride. The reaction occurs with reagent SnCl4 at the temperature of 100 °C for 3 hours. The yield is about 71%.
When you are using this chemical, please be cautious about it. As a chemical, it is toxic by inhalation, in contact with skin and if swallowed. During using it, keep away from sources of ignition as thie chemical is highly flammable. Besides, take precautionary measures against static discharges. After using it, keep container tightly closed and in a well-ventilated place. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC1=CC=CO1
2. InChI: InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
3. InChIKey: VQKFNUFAXTZWDK-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | unreported | 730mg/kg (730mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(2), Pg. 68, 1981. | |
mouse | LD50 | unreported | 600mg/kg (600mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(2), Pg. 68, 1981. | |
rabbit | LD50 | unreported | 455mg/kg (455mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(2), Pg. 68, 1981. | |
rat | LC50 | inhalation | 500ppm/4H (500ppm) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | American Industrial Hygiene Association Journal. Vol. 50, Pg. A359, 1989. |
rat | LD50 | unreported | 480mg/kg (480mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(2), Pg. 68, 1981. |