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Name |
4-Hydroxy-2,5-dimethyl-3(2H)furanone |
EINECS | 222-908-8 |
CAS No. | 3658-77-3 | Density | 1.249 g/cm3 |
PSA | 46.53000 | LogP | 0.76370 |
Solubility | 176g/L at 20℃ | Melting Point |
73-77 °C(lit.) |
Formula | C6H8O3 | Boiling Point | 215.5 °C at 760 mmHg |
Molecular Weight | 128.128 | Flash Point | 90.5 °C |
Transport Information | N/A | Appearance | white to light yellow crystal powder |
Safety | 36-24/25 | Risk Codes | 22 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
2,5-Dimethyl-3-hydroxy-4-oxo-4,5-dihydrofuran;2,5-Dimethyl-4,5-dihydrofuran-3-ol-4-one;2,5-Dimethyl-4-hydroxy-2,3-dihydrofuran-3-one;2,5-Dimethyl-4-hydroxy-3(2H)-furanone;4-Hydroxy-2,5-Dimethyl-3-oxo-2,3-dihydrofuran;4-Hydroxy-2,5-dimethyl-2,3-dihydrofuran-3-one;4-Hydroxy-2,5-dimethyl-2H-furan-3-one;Alletone;Furaneol;Pineapple ketone;3(2H)-Furanone,4-hydroxy-2,5-dimethyl-; |
Article Data | 10 |
furaneol
Conditions | Yield |
---|---|
With sulfuric acid at 10 - 20℃; for 1h; Reagent/catalyst; | 96.3% |
glucofuraneol tetraacetate
A
furaneol
B
2,5-dimethyl-4-hydroxy-3<2H>-furanone β-D-glucopyranoside
Conditions | Yield |
---|---|
With sodium methylate In methanol for 4h; Ambient temperature; | A 8% B 92% |
hexane-3,4-cis-diol-2,5-dione
furaneol
Conditions | Yield |
---|---|
With sodium phosphate dibasic dodecahydrate; phosphoric acid In acetic acid butyl ester; water at 70 - 80℃; for 0.833333h; Reagent/catalyst; Flow reactor; | 86% |
With disodium hydrogenphosphate; sodium hydrogencarbonate In water; ethyl acetate at 75℃; for 36h; pH=7; pH-value; Solvent; Temperature; Inert atmosphere; | 6.8 g |
Conditions | Yield |
---|---|
With piperidine; acetic acid In ethanol at 80℃; for 24h; | 85% |
Multi-step reaction with 3 steps 1: 90 percent / NaBH4 / H2O / 0.5 h / Ambient temperature 2: 95 percent / sorbitol dehydrogenase (SDH), NAD, α-ketoglutarate monosodium salt, (NH4)2SO4, GluDH / H2O / 10 h / pH 8.2 3: piperidine, glacial acetic acid / ethanol / 20 h / 80 °C View Scheme |
furaneol
Conditions | Yield |
---|---|
With oxalic acid for 5h; Heating; | 85% |
Conditions | Yield |
---|---|
With hydrogenchloride; sodium hydroxide In water | 81.4% |
ethyl 3,4-dihydroxy-5-methyl-2-furancarboxylate
furaneol
Conditions | Yield |
---|---|
With hydrogenchloride; sodium hydroxide In water; dimethyl sulfate | 76.6% |
2,5-bisacetoxyhexane-3,4-dione
furaneol
Conditions | Yield |
---|---|
With oxalic acid In water for 3.2h; Heating; | 66% |
2,2'-Dimethoxy-3,3'-dimethyl-[2,2']bioxiranyl
furaneol
Conditions | Yield |
---|---|
With sulfuric acid In methanol for 2h; Heating; | 59% |
Conditions | Yield |
---|---|
With sodium dihydrogenphosphate; L-Lysine hydrochloride; sodium hydroxide In water at 110℃; for 0.75h; pH=6.5; Temperature; Concentration; | 56.7% |
Molecular Structure of 4-Hydroxy-2,5-dimethyl-3(2H)furanone (CAS NO.3658-77-3):
IUPAC Name: 4-Hydroxy-2,5-dimethylfuran-3-one
Canonical SMILES: CC1C(=O)C(=C(O1)C)O
InChI: InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3
InChIKey: INAXVXBDKKUCGI-UHFFFAOYSA-N
Molecular Weight: 128.12592 [g/mol]
Molecular Formula: C6H8O3
XLogP3-AA: 0.7
H-Bond Donor: 1
H-Bond Acceptor: 3
EINECS: 222-908-8
storage temp.: 2-8 °C
Index of Refraction: 1.512
Molar Refractivity: 30.78 cm3
Molar Volume: 102.5 cm3
Surface Tension: 42.2 dyne/cm
Density: 1.249 g/cm3
Flash Point: 90.5 °C
Enthalpy of Vaporization: 52.55 kJ/mol
Boiling Point: 215.5 °C at 760 mmHg
Vapour Pressure: 0.032 mmHg at 25 °C
Appearance: white to light yellow crystal powder
Melting Point: 73-77 °C(lit.)
Classification Code: Mutation data
Product Categories: Furan&Benzofuran; API intermediates; Alphabetical Listings; C-D; Flavors and Fragrances; Furan flavors
4-Hydroxy-2,5-dimethyl-3(2H)furanone (CAS NO.3658-77-3) is used as flavorant in the lields of food,beverage and daily-use chemical industry.
1. | mmo-sat 2 mg/plate | CHYCDW Zhonghua Yufangyixue Zazhi. Chinese Journal of Preventive Medicine. 22 (1988),85. | ||
2. | sce-mus-ipr 186 mg/kg | CHYCDW Zhonghua Yufangyixue Zazhi. Chinese Journal of Preventive Medicine. 22 (1988),85. | ||
3. | orl-mus LD50:1608 mg/kg | CHYCDW Zhonghua Yufangyixue Zazhi. Chinese Journal of Preventive Medicine. 22 (1988),85. |
Reported in EPA TSCA Inventory.
Safety Information of 4-Hydroxy-2,5-dimethyl-3(2H)furanone (CAS NO.3658-77-3):
Hazard Codes:Xn
Risk Statements:22
22:Harmful if swallowed
Safety Statements:36-24/25
36:Wear suitable protective clothing
24/25:Avoid contact with skin and eyes
WGK Germany:3
RTECS:LU3990000
F:10-23
Moderately toxic by ingestion. Mutation data reported. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.
DOT Classification: 3; Label: Flammable Liquid
4-Hydroxy-2,5-dimethyl-3(2H)furanone (CAS NO.3658-77-3), its Synonyms are 2,5-Dimethyl-3-hydroxy-4-oxo-4,5-dihydrofuran ; 2,5-Dimethyl-4-hydroxy-2,3-dihydrofuran-3-one ; 2,5-Dimethyl-4-hydroxy-3(2H)-furanone ; 3(2H)-Furanone, 4-hydroxy-2,5-dimethyl- ; Alletone ; FEMA No. 3174 ; Furaneol ; Pineapple ketone ; 3(2H)-Furanone, 2,5-dimethyl-4-hydroxy- ; 4-Hydroxy-2,5-dimethylfuran-2(3H)-one .