CAS No.534-22-5,2-Methylfuran Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	534-22-5
Name:	2-Methylfuran
Article Data:	248

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

Synthetic route

: 98-01-1
furfural

: 534-22-5
2-methylfuran

Conditions

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%

: 98-01-1
furfural

: 110-63-4
Butane-1,4-diol

A: 534-22-5
2-methylfuran

B: 96-48-0
4-butanolide

Conditions

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%

...Expand

: 98-00-0
(2-furyl)methyl alcohol

: 534-22-5
2-methylfuran

Conditions

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%

: 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

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%

...Expand

: 620-02-0
5-Methylfurfural

: 534-22-5
2-methylfuran

Conditions

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;

: exo/endo-2,2-Dichlor-4-methyl-3-neopentyl-7-oxa-2-silabicyclo<2.2.1>hex-5-en

A: 534-22-5
2-methylfuran

B: 118853-33-1
(E)-1,1,3,3-Tetrachlor-2,4-dineopentyl-1,3-disilacyclobutan

C: 148728-63-6
3,3-Dichlor-4-trichlorsilyl-6,6-dimethyl-3-silahept-1-en

D: 2,2-Dichlor-4-methyl-3-neopentyl-1-oxa-2-silacyclohepta-4,6-dien

Conditions

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%

...Expand

Downstream Products

7553-56-2

626-96-0

52999-76-5

51575-16-7

Total:85 Page 1 of 3 1 2 3 Next>>

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

Specification

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 SnCl₄at the temperature of 100 °C for 3 hours. The yield is about 71%.

2-Methylfuran is used to produce 1-(5-methyl-[2]furyl)-butan-1-one by reaction with butyric acid anhydride.

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.