Ethyl levulinate

CAS No.：539-88-8

Other grades of this product :

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 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℃
refractive index	n20/D 1.422(lit.)
FEMA	2442 \| ETHYL LEVULINATE
Fp	195 °F
storage temp.	Sealed in dry,Room Temperature
solubility	H2O: freely soluble
form	Liquid
color	Clear yellow
Specific Gravity	1.01
Water Solubility	Soluble in water.
JECFA Number	607
Merck	14,3819
BRN	507641
InChIKey	GMEONFUTDYJSNV-UHFFFAOYSA-N
LogP	0.324 at 20℃
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	Pentanoic 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

Provider	Language
4-Oxopentanoic acid ethyl ester	English
SigmaAldrich	English
ACROS	English
ALFA	English

Ethyl levulinate Usage And Synthesis

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.).
Uses	Solvent for cellulose acetate and starch ethers, flavoring.
Uses	Ethyl levulinate is used to develop a preparative HPLC method to preserve wine aromas and isolates fruity characteristics of red wine aroma extracts
Uses	Ethyl levulinate was used to develop a preparative HPLC method to preserve wine aromas and isolates fruity characteristics of red wine aroma extracts.
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/jo00081a034Synthetic 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
Safety Profile	A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes
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.]

Ethyl levulinate Preparation Products And Raw materials

Raw materials	Levulinic acid
Preparation Products	3-AMINO-4-PYRIDAZINECARBOXYLIC ACID-->5-(AMINOMETHYL)-1,5-DIMETHYLPYRROLIDIN-2-ONE-->diethyl pyridazine-3,4-dicarboxylate-->5-(AMINOMETHYL)-5-METHYLPYRROLIDIN-2-ONE-->Pentanoic acid, 4-hydroxy-, ethyl ester-->5-(ETHOXYMETHYL)-2-FURALDEHYDE-->2,5-DICHLORO-2,5-DIMETHYLHEXANE

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