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Name |
Ethyl Maltol |
EINECS | 225-582-5 |
CAS No. | 4940-11-8 | Density | 1.261 g/cm3 |
PSA | 50.44000 | LogP | 0.90780 |
Solubility | 9.345g/L at 24℃ | Melting Point |
85-95 °C(lit.) |
Formula | C7H8O3 | Boiling Point | 290.3 °C at 760 mmHg |
Molecular Weight | 140.139 | Flash Point | 124.8 °C |
Transport Information | N/A | Appearance | White crystalline powder |
Safety | 36 | Risk Codes | 22 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
2-Ethyl-3-hydroxy-4-pyrone;2-Ethyl-3-hydroxy-4H-pyran-4-one;2-Ethylpyromeconic acid;3-Hydroxy-2-ethyl-1,4-pyrone;3-Hydroxy-2-ethyl-4-pyrone;3-Hydroxy-2-ethyl-g-pyrone; |
Article Data | 14 |
ethylfurfuryl alcohol
2-ethyl-3-hydroxy-4-pyranone
Conditions | Yield |
---|---|
With chlorine In methanol; water 1.) -5 deg C; 2.) 90-95 deg C, 3.5 h; | 67% |
With chlorine In methanol; water at 90 - 95℃; for 3.5h; Rearrangement; | 67% |
Stage #1: ethylfurfuryl alcohol With oxygen In methanol at 93℃; Molecular sieve; Stage #2: With oxygen In methanol at 20℃; for 2h; Stage #3: With hydrogenchloride In water at 100℃; for 2h; pH=2.5 - 3; Solvent; Temperature; | 66.8% |
With tert-butylhypochlorite In acetic acid | 65% |
2-ethyl-3-hydroxy-4-pyranone
Conditions | Yield |
---|---|
With hydrogenchloride; zinc In ethanol at 55℃; for 3h; Temperature; |
2-ethyl-3-hydroxy-4-pyranone
Conditions | Yield |
---|---|
With Lawessons reagent In 1,4-dioxane for 1h; Heating; |
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: hydrogen / water / 8 h / 90 °C / 15001.5 Torr 2: chlorine / water; methanol / -5 - 60 °C 3: sodium hydroxide / 3 h / 55 °C 4: zinc; hydrogenchloride / ethanol / 3 h / 55 °C View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: chlorine / water; methanol / -5 - 60 °C 2: sodium hydroxide / 3 h / 55 °C 3: zinc; hydrogenchloride / ethanol / 3 h / 55 °C View Scheme |
2-ethyl-3-hydroxy-4-pyranone
benzyl bromide
3-(benzyloxy)-2-ethyl-4H-pyran-4-one
Conditions | Yield |
---|---|
In acetone for 6h; Reflux; | 98% |
Stage #1: 2-ethyl-3-hydroxy-4-pyranone With sodium hydroxide In methanol Heating; Stage #2: benzyl bromide In methanol for 6h; Heating; Further stages.; | 85% |
With sodium hydroxide In ethanol Heating; | 80% |
Conditions | Yield |
---|---|
In methanol for 1h; Reflux; | 98% |
2-ethyl-3-hydroxy-4-pyranone
salicylic acid
2-ethyl-3-hydroxy-4-pyrone/salicylic acid 1:1 cocrystals
Conditions | Yield |
---|---|
In methanol at 64℃; for 1h; | 98% |
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 4h; Inert atmosphere; Reflux; | 97% |
With potassium carbonate In acetone at 25℃; for 4h; | 93% |
With potassium carbonate In acetone for 8h; Reflux; |
Conditions | Yield |
---|---|
In methanol byproducts: NaCl; N2-atmosphere; stoich. amts., refluxing for 3 h; solvent removal, extn. into CH2Cl2, filtration (Celite), evapn., recrystn. (CH2Cl2/light petroleum); | 96% |
The Molecular Structure of Ethyl maltol (CAS NO.4940-11-8) :
Empirical Formula: C7H8O3
Molecular Weight: 140.1366
IUPAC Name: IUPAC: 2-ethyl-3-hydroxypyran-4-one
Nominal Mass: 140 Da
Average Mass: 140.1366 Da
Monoisotopic Mass: 140.047344 Da
Index of Refraction: 1.54
Molar Refractivity: 34.91 cm3
Molar Volume: 111.1 cm3
Surface Tension: 47 dyne/cm
Density: 1.261 g/cm3
Flash Point: 124.8 °C
Enthalpy of Vaporization: 61.46 kJ/mol
Boiling Point: 290.3 °C at 760 mmHg
Melting Point: 85-95 °C
Vapour Pressure: 0.000228 mmHg at 25°C
InChI
InChI=1/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3
Smiles
c1(c(ccoc1CC)=O)O
Synonyms: 5-18-01-00135 (Beilstein Handbook Reference) ; BRN 1618110 ; EINECS 225-582-5 ; FEMA No. 3487 ; UNII-L6Q8K29L05
It is a stable white crystalline powder at room temperature and easily dissolves in many polar liquids. Ethyl Maltol (CAS NO.4940-11-8) has a sweet odor that can be described as caramalized sugar and cooked fruit. Ethyl Maltol (CAS NO.4940-11-8) can be easily detected by the human, with as little as 10 parts per million perceivable in air.
Ethyl Maltol (CAS NO.4940-11-8) is an important flavourant for the food, beverage, and fragrance industry. It is a sweet, synergistic agent used in TOBACCO, food, wines,beverages, essences, cosmetics and other consumables, It has a remarkable effect on improving and increasing the flavor of foods and it enhances the sweetness of foods.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
chicken | LD50 | oral | 1270mg/kg (1270mg/kg) | Toxicology and Applied Pharmacology. Vol. 15, Pg. 604, 1969. | |
mouse | LD50 | oral | 780mg/kg (780mg/kg) | Toxicology and Applied Pharmacology. Vol. 15, Pg. 604, 1969. | |
mouse | LD50 | subcutaneous | 910mg/kg (910mg/kg) | Chemical and Pharmaceutical Bulletin. Vol. 22, Pg. 1008, 1974. | |
rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 13, Pg. 805, 1975. | |
rat | LD50 | oral | 1150mg/kg (1150mg/kg) | Toxicology and Applied Pharmacology. Vol. 15, Pg. 604, 1969. |
Hazard Codes: Xn
Risk Statements: 22
R22: Harmful if swallowed
Safety Statements: 36
S36: Wear suitable protective clothing
Ethyl maltol (CAS NO.4940-11-8) is also called as 2-Ethyl pyromeconic acid ; 2-Ethyl-3-hydroxy-4H-pyran-4-one ; 2-Ethylpyromeconic acid ; 3-Hydroxy-2-ethyl-1,4-pyrone ; 3-Hydroxy-2-ethyl-4-pyrone ; 3-Hydroxy-2-ethyl-4H-pyran-4-one ; 3-Hydroxy-2-ethyl-gamma-pyrone ; 4H-Pyran-4-one, 2-ethyl-3-hydroxy- ; Veltol plus ; 2-Ethyl-3-hydroxy-4-pyrone ; 4H-Pyran-4-one, 2-ethyl-3-hydroxy- .