| Identification | More | [Name]
Ethyl levulinate | [CAS]
539-88-8 | [Synonyms]
3-ACETYLPROPIONIC ACID ETHYL ESTER
4-KETOVALERIC ACID ETHYL ESTER
4-oxopentanoic acid ethyl ester
4-OXOVALERIC ACID ETHYL ESTER
ethyl 3-acetylpropionate
Ethyl 4-ketovalerate
ETHYL 4-OXOPENTANOATE
ETHYL 4-OXOVALERATE
ETHYL ACETYL PROPANOATE
ethyl ethyl 4-oxovalerate
Ethyl laevulinate
ETHYL LEVULINATE
FEMA 2442
LEVULINIC ACID ETHYL ESTER
Levulinic acid ethyl ester 4-oxopentanoate
4-oxo-pentanoicaciethylester
ELA
Ethyl ketovalerate
Ethyl levulate
ethylketovalerate | [EINECS(EC#)]
208-728-2 | [Molecular Formula]
C7H12O3 | [MDL Number]
MFCD00009209 | [Molecular Weight]
144.17 | [MOL File]
539-88-8.mol |
| Chemical Properties | Back Directory | [Appearance]
clear yellowish liquid | [Melting point ]
<25 °C | [Boiling point ]
93-94 °C/18 mmHg (lit.) | [density ]
1.016 g/mL at 25 °C(lit.)
| [vapor pressure ]
11Pa at 25℃ | [FEMA ]
2442 | [refractive index ]
n20/D 1.422(lit.)
| [Fp ]
195 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
H2O: freely soluble | [form ]
Liquid | [color ]
Clear yellow | [Specific Gravity]
1.01 | [Odor]
at 100.00 %. sweet fruity floral berry green pineapple rhubarb | [Odor Type]
fruity | [Water Solubility ]
Soluble in water. | [Detection Methods]
GC,NMR | [JECFA Number]
607 | [Merck ]
14,3819 | [BRN ]
507641 | [Dielectric constant]
12.0（21℃） | [InChIKey]
GMEONFUTDYJSNV-UHFFFAOYSA-N | [LogP]
0.324 at 20℃ | [Uses]
Solvent for cellulose acetate and starch ethers,
flavoring. | [CAS DataBase Reference]
539-88-8(CAS DataBase Reference) | [NIST Chemistry Reference]
Pentanoic acid, 4-oxo-, ethyl ester(539-88-8) | [EPA Substance Registry System]
539-88-8(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
2
| [RTECS ]
OI1700000
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [HS Code ]
29183000 | [Safety Profile]
A skin irritant. When
heated to decomposition it emits acrid
smoke and irritating fumes |
| Hazard Information | Back Directory | [Chemical Properties]
clear yellowish liquid | [Chemical Properties]
Ethyl levulinate has an ethereal, fruity, green, sweet, pineapple, apple, rhubarb odor.
| [Occurrence]
Reported found in white bread, roasted onion, wheat bread, cognac, malt whiskey, grape wines, cocoa, bilberry
wine, Bourbon vanilla and cherimoya (Annona cheremolia Mill.). | [Definition]
ChEBI: Ethyl levulinate is an oxo carboxylic acid. | [Preparation]
Usually obtained by direct esterification of levulinic acid with ethanol and H2SO4 in benzene or in toluene; also in the
presence of HCI in ethanol; other methods starting from glucose, fructose and others are of less importance. | [Taste threshold values]
Taste characteristics at 40 ppm: fruity, green, waxy and melon. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 59, p. 486, 1994 DOI: 10.1021/jo00081a034
Synthetic Communications, 8, p. 279, 1978 DOI: 10.1080/00397917808065622 | [General Description]
Ethyl levulinate is diluent for biodiesel fuels with high saturated fatty acid content. | [Flammability and Explosibility]
Notclassified | [Purification Methods]
Stir the ester with Na2CO3 and charcoal, filter and distil. It is freely soluble in H2O and EtOH [IR, NMR: Sterk Monatsh Chem 99 1770 1968, Thomas & Schuette J Am Chem Soc 53 2328 1931, Cox & Dodds J Am Chem Soc 55 3392 1933]. [Beilstein 3 IV 1562.] |
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