Propyl Levulinate Chemical Properties

Boiling point:

218°C (estimate)

Density 

0.9896

refractive index 

1.4258

FEMA 

4480 | PROPYL LEVULINATE

storage temp. 

Sealed in dry,Room Temperature

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

clear liquid

color 

Colorless to Almost colorless

Odor

sweet caramellic

Odor Type

caramellic

JECFA Number

1971

InChI

InChI=1S/C8H14O3/c1-3-6-11-8(10)5-4-7(2)9/h3-6H2,1-2H3

InChIKey

QOSMNYMQXIVWKY-UHFFFAOYSA-N

SMILES

C(OCCC)(=O)CCC(=O)C

LogP

0.93

CAS DataBase Reference

645-67-0

Safety Information

HS Code 

2918.30.9000

Propyl Levulinate Usage And Synthesis

Definition

ChEBI: Propyl levulinate is an oxo carboxylic acid.

Synthesis

General procedure for the synthesis of propyl 4-oxopentanoate from n-propanol and acetylpropionic acid: the esterification of acetylpropionic acid was carried out in a 50 mL round-bottomed flask fitted with a reflux condenser tube. In a typical catalyzed reaction, catalyst (40 mg) was added to a mixture of acetylpropionic acid and n-propanol, where the molar ratio of acetylpropionic acid to n-propanol was 1:8 (with n-propanol acting as both the reactant and the solvent), and the mixture was subsequently magnetically stirred for 2 hours at 333 K. The reaction was carried out in a 50 mL round bottom flask equipped with a reflux condenser tube. After the reaction reached the predetermined time, a portion of the reaction mixture was taken and separated by filtration and the filtrate was analyzed by gas chromatography (GC) equipped with a flame ionization detector and a capillary column. All the compounds were characterized by their spectral data (1H NMR) and compared with the data reported in literature.

References

[1] RSC Advances, 2016, vol. 6, # 3, p. 2106 - 2111
[2] Journal of the American Chemical Society, 1930, vol. 52, p. 4883
[3] Journal of the American Chemical Society, 1933, vol. 55, p. 3393
[4] Patent: US2029412, 1934,
[5] Journal fuer Praktische Chemie (Leipzig), 1955, vol. <4> 1, p. 153,154

Propyl Levulinate(645-67-0)Related Product Information

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• sodium 4-oxovalerate
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• ERBIUM (III) 2,4-PENTANEDIONATE
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• NEODYMIUM ACETYLACETONATE
• CERIUM ACETYL ACETONATE
• ZINC ACETYLACETONATE HYDRATE
• 2,4-PENTANEDIONE, SILVER DERIVATIVE
• Ferrous acetylacetonate
• Levulinic acid
• Methyl levulinate
• Diethyl acetylmalonate