Products Categories
| CAS No.: | 591-11-7 |
|---|---|
| Name: | BETA-ANGELICA LACTONE |
| Molecular Structure: | |
|
|
|
| Formula: | C5H6 O2 |
| Molecular Weight: | 98.1014 |
| 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 |
| Density: | 1.095g/cm3 |
| Melting Point: | <-17 °C |
| Boiling Point: | 210°C at 760 mmHg |
| Flash Point: | 78.9°C |
| 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. |
| PSA: | 26.30000 |
| LogP: | 0.48790 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| 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% |
| Conditions | Yield |
|---|---|
| With potassium carbonate; hydrazine; bis-triphenylphosphine-palladium(II) chloride In tetrahydrofuran at 35℃; under 2280 Torr; for 72h; | 95% |
| 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 | Yield |
|---|---|
| With silylated SiO2 catalyst In water at 250℃; under 760.051 Torr; for 0.8h; Reagent/catalyst; Inert atmosphere; Flow reactor; |
| 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; |
| 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 | Yield |
|---|---|
| With formic acid; UN-No2881 ex. Kataleuna at 275℃; | A 7% B 30% |
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 | Yield |
|---|---|
| With alumina-doped tungstated mesoporous zirconia In water at 170℃; Reagent/catalyst; Solvent; Inert atmosphere; |
| 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 | 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. |
- Total:19 Page 1 of 1 1
What can I do for you?
Get Best Price
Chemistry
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
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. |
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.
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 .