Ethyl levulinate

Ethyl levulinate Basic information
Product Name:Ethyl levulinate
Synonyms:4-oxo-pentanoicaciethylester;ELA;Ethyl ketovalerate;Ethyl levulate;ethylketovalerate;ethyllevulate;Pentanoicacid,4-oxo-,ethylester;ETHYL 4-OXOPENTANOATE
CAS:539-88-8
MF:C7H12O3
MW:144.17
EINECS:208-728-2
Product Categories:Pharmaceutical Intermediates;bc0001
Mol File:539-88-8.mol
Ethyl levulinate Structure
Ethyl levulinate Chemical Properties
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 | ETHYL LEVULINATE
refractive index n20/D 1.422(lit.)
Fp 195 °F
storage temp. Sealed in dry,Room Temperature
solubility H2O: freely soluble
form Liquid
Specific Gravity1.01
color Clear yellow
Odorat 100.00 %. sweet fruity floral berry green pineapple rhubarb
Odor Typefruity
Water Solubility Soluble in water.
Merck 14,3819
JECFA Number607
BRN 507641
InChIKeyGMEONFUTDYJSNV-UHFFFAOYSA-N
LogP0.324 at 20℃
CAS DataBase Reference539-88-8(CAS DataBase Reference)
NIST Chemistry ReferencePentanoic acid, 4-oxo-, ethyl ester(539-88-8)
EPA Substance Registry SystemPentanoic acid, 4-oxo-, ethyl ester (539-88-8)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 24/25
WGK Germany 2
RTECS OI1700000
Hazard Note Irritant
TSCA Yes
HS Code 29183000
MSDS Information
ProviderLanguage
4-Oxopentanoic acid ethyl ester English
SigmaAldrich English
ACROS English
ALFA English
Ethyl levulinate Usage And Synthesis
Chemical Propertiesclear yellowish liquid
Chemical PropertiesEthyl levulinate has an ethereal, fruity, green, sweet, pineapple, apple, rhubarb odor.
OccurrenceReported found in white bread, roasted onion, wheat bread, cognac, malt whiskey, grape wines, cocoa, bilberry wine, Bourbon vanilla and cherimoya (Annona cheremolia Mill.).
UsesSolvent for cellulose acetate and starch ethers, flavoring.
UsesEthyl levulinate is used to develop a preparative HPLC method to preserve wine aromas and isolates fruity characteristics of red wine aroma extracts
UsesEthyl levulinate was used to develop a preparative HPLC method to preserve wine aromas and isolates fruity characteristics of red wine aroma extracts.
PreparationUsually 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.
DefinitionChEBI: Ethyl levulinate is an oxo carboxylic acid.
Taste threshold valuesTaste 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 DescriptionEthyl levulinate is diluent for biodiesel fuels with high saturated fatty acid content.
Flammability and ExplosibilityNotclassified
Safety ProfileA skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes
Purification MethodsStir 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.]
Levulinic acid Estradiol valerate Ethyl acetoacetate MAGNESIUM DIPROPYLACETATE HYDRATE Trinexapac-ethyl PICROLONIC ACID Ethanol Ethyl 2,4-dioxovalerate N-Vinyl-2-pyrrolidone Ketoprofen Ethyl formate Tetraethyl orthosilicate ISOXADIFEN-ETHYL 2-Propylpentanoic acid Ethyl acetate Ethyl propiolate Ethyl acrylate Ethyl cyanoacetate

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