5-Methyl-2(5H)-furanone supplier

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Cas Database

Name	5-Methyl-2(5H)-furanone	EINECS	N/A
CAS No.	591-11-7	Density	1.095g/cm³
PSA	26.30000	LogP	0.48790
Solubility	N/A	Melting Point	<-17 °C
Formula	C5H6 O2	Boiling Point	210°C at 760 mmHg
Molecular Weight	98.1014	Flash Point	78.9°C
Transport Information	N/A	Appearance	N/A
Safety	Moderately toxic by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	2-Pentenoicacid, 4-hydroxy-, g-lactone (6CI,7CI); 2-Oxo-5-methyl-2,5-dihydrofuran; 2-Penten-4-olide;4-Hydroxy-2-pentenoic acid g-lactone; 4-Hydroxypent-2-enoic acid lactone; 4-Methyl-2-buten-4-olide;5-Methyl-2(5H)-furanone; 5-Methyl-5H-furan-2-one; NSC 655; D1-Angelica lactone; a,b-Angelica lactone; b-Angelica lactone; g-Methyl-Da,b-butenolide	Article Data	75

5-Methyl-2(5H)-furanone Synthetic route

: 1617-32-9
(E)-3-pentenoic acid

: 591-11-7
5-methyl-5H-furan-2-one

Conditions

Conditions	Yield
Stage #1: (E)-3-pentenoic acid With Oxalyl bromide; dimethyl sulfoxide In dichloromethane at -10 - 20℃; for 1.16667h; Inert atmosphere; Stage #2: With potassium carbonate In dichloromethane-d2; water at 20℃; for 5h; Inert atmosphere;	93%
Stage #1: (E)-3-pentenoic acid With oxalyl dichloride; 1,1'-sulfinylbisbenzene In dichloromethane at -78℃; for 0.166667h; Inert atmosphere; Stage #2: With 18-crown-6 ether; potassium carbonate In dichloromethane at -78 - 20℃; for 5h; Reagent/catalyst; Inert atmosphere;	85%
Stage #1: (E)-3-pentenoic acid With oxalyl dichloride; 1,1'-sulfinylbisbenzene In dichloromethane at -78 - 20℃; for 1h; Inert atmosphere; Stage #2: With 18-crown-6 ether; potassium carbonate In dichloromethane at 20℃; for 5h; Inert atmosphere;	85%
With (M,3aS,3a'S*)-3,3',3a',4,4',5,5'-octahydro-3,3,3',3'-tetraisopropyl-6,6'-spirobi[6H-cyclopent[c]isoxazole]; palladium diacetate; p-benzoquinone In dichloromethane at 30℃; for 24h; Inert atmosphere;	71%

: 201230-82-2
carbon monoxide

: 74785-04-9
(2R*,3Z)-4-Iodo-3-buten-2-ol

: 591-11-7
5-methyl-5H-furan-2-one

Conditions

Conditions	Yield
With potassium carbonate; hydrazine; bis-triphenylphosphine-palladium(II) chloride In tetrahydrofuran at 35℃; under 2280 Torr; for 72h;	95%

: 5204-64-8
3-pentenoic acid

: 591-11-7
5-methyl-5H-furan-2-one

Conditions

Conditions	Yield
Stage #1: 3-pentenoic acid With Oxalyl bromide; dimethyl sulfoxide In dichloromethane at -10 - 20℃; Inert atmosphere; Stage #2: With sodium hydroxide In dichloromethane; water for 5h; Reagent/catalyst;	93%

: 123-76-2
levulinic acid

A: 591-11-7
5-methyl-5H-furan-2-one

B: 591-12-8
5-methyl-2-furanone

C: 10008-73-8
5-methylenedihydrofuran-2-one

Conditions

Conditions	Yield
With silylated SiO2 catalyst In water at 250℃; under 760.051 Torr; for 0.8h; Reagent/catalyst; Inert atmosphere; Flow reactor;

: 123-76-2
levulinic acid

A: 591-11-7
5-methyl-5H-furan-2-one

B: 591-12-8
5-methyl-2-furanone

Conditions

Conditions	Yield
With H-ZSM5/SiO2 at 129.84℃; under 75.0075 Torr; Reagent/catalyst; Temperature;	A 33% B 64%
bei der Destillation;
With montmorillonite K 10 at 165℃; under 50 Torr; Overall yield = 92 %; Overall yield = 15.6 g;

: 123-76-2
levulinic acid

: 591-11-7
5-methyl-5H-furan-2-one

Conditions

Conditions	Yield
bei der Destillation; Behandeln mit einer konz. Kaliumcarbonatloesung;
Multi-step reaction with 2 steps 1: 60 percent / H3PO4 / Heating 2: 43 percent / Et3N / benzene / 15 h / Heating View Scheme
Multi-step reaction with 2 steps 1: H3PO4 2: 79 percent / Et3N / 4 h / 100 °C View Scheme
Multi-step reaction with 2 steps 1: phosphoric acid / 175 °C 2: triethylamine / ethanol / 12 h View Scheme
Stage #1: levulinic acid under 50 Torr; Stage #2: With triethylamine at 80℃;

: 539-88-8
4-oxopentanoic acid ethyl ester

A: 591-11-7
5-methyl-5H-furan-2-one

B: 108-29-2
5-methyl-dihydro-furan-2-one

Conditions

Conditions	Yield
With formic acid; UN-No2881 ex. Kataleuna at 275℃;	A 7% B 30%

: 87-72-9, 608-45-7, 608-46-8, 608-47-9, 2460-44-8, 6748-95-4, 6763-34-4, 7261-26-9, 7283-06-9, 7283-07-0, 7296-55-1, 7296-56-2, 7296-58-4, 7296-59-5, 7296-60-8, 7296-61-9, 7296-62-0, 7322-30-7, 10257-31-5, 10257-32-6, 10257-33-7, 10257-34-8, 10257-35-9, 19982-83-3, 20242-88-0, 28697-53-2, 36562-42-2, 41546-41-2, 89299-64-9, 107655-34-5, 115794-06-4, 115794-07-5, 130550-15-1, 130606-21-2
D-Xylose

A: 98-01-1
furfural

B: 591-11-7
5-methyl-5H-furan-2-one

C: 22122-36-7
3-methyl-5H-furan-2-one

D: 600-14-6
2,3-Pentanedione

E: 75-07-0
acetaldehyde

F: 64-19-7
acetic acid

G: 110-13-4
2,5-hexanedione

H: 116-09-6
hydroxy-2-propanone

I: 431-03-8
dimethylglyoxal

Conditions

Conditions	Yield
With alumina-doped tungstated mesoporous zirconia In water at 170℃; Reagent/catalyst; Solvent; Inert atmosphere;

...Expand

: 591-12-8
5-methyl-2-furanone

: 591-11-7
5-methyl-5H-furan-2-one

Conditions

Conditions	Yield
With triethylamine at 100℃; for 4h;	79%
With triethylamine In toluene at 60℃; for 6h;	60%
With triethylamine at 75℃; for 2h;	55%

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

: 67-56-1
methanol

A: 591-11-7
5-methyl-5H-furan-2-one

B: 591-12-8
5-methyl-2-furanone

C: 624-45-3
levulinic acid methyl ester

D: 13679-46-4
2-(methoxymethyl)furan

Conditions

Conditions	Yield
With zeolite H-beta at 110℃; for 1.5h; Autoclave;	A n/a B n/a C 10.1 %Chromat. D 18.3 %Chromat.

...Expand

5-Methyl-2(5H)-furanone Chemical Properties

Molecular Formula: C₅H₆O₂
Molar mass: 98.0999 g/mol
EINECS: 209-700-2
Density: 1.095 g/cm³
Flash Point: 78.9 °C
Index of Refraction: 1.459
Boiling Point: 210 °C at 760 mmHg
Vapour Pressure: 0.197 mmHg at 25°C
Structure of 5-Methyl-2(5H)-furanone (591-11-7):

XLogP3-AA: 0.6
H-Bond Donor: 0
H-Bond Acceptor: 2
Systematic Name of 5-Methyl-2(5H)-furanone (591-11-7): 5-Methyl-5H-furan-2-one
SMILES: O=C\1OC(/C=C/1)C
InChI: InChI=1/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3
InChIKey: BGLUXFNVVSVEET-UHFFFAOYAU
Std. InChI: InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3
Std. InChIKey: BGLUXFNVVSVEET-UHFFFAOYSA-N

5-Methyl-2(5H)-furanone Toxicity Data With Reference

1.		ipr-mus LD50:750 mg/kg		APTOA6 Acta Pharmacologica et Toxicologica. 2 (1946),109.
2.		orl-cat LDLo:500 mg/kg		JPETAB Journal of Pharmacology and Experimental Therapeutics. 36 (1929),355.

5-Methyl-2(5H)-furanone Safety Profile

Moderately toxic by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.

5-Methyl-2(5H)-furanone Specification

5-Methyl-2(5H)-furanone (591-11-7) also can be called Angelica lactone ; 2(5H)-furanone, 5-methyl- ; .DELTA.1-Angelica lactone ; .alpha.,.beta.-Angelica lactone ; 4-Hydroxy-2-pentenoic Acid g-Lactone ;and ; 4-Hydroxy-2-pentenoic acid .gamma.-lactone .

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5-Methyl-2(5H)-furanone

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