Propyl 4-oxopentanoate

Clear colourless liquid; Sweet very slight carmellic aroma

Propyl levulinate is an oxo carboxylic acid.

General procedure: Esterification of levulinic acid was carried out in a 50mL round bottom flask equipped with a reflux condenser. In a typical catalytic reaction the catalyst (40mg) was added to a mixture of levulinic acid and ethanol with the molar ratio of LA: alcohol=1:8 (ethanol acts as reagent cum solvent) and the mixture was magnetically stirred at 333K for 2h. A portion of the reaction mixture was separated after the scheduled reaction time through filtration and the filtrate was then analyzed through the gas chromatography (GC) equipped with a flame-ionized detector and a capillary column. All compounds were characterized on the basis of their spectroscopic data (1.8 g of sucrose, 0.361 g of SnCl4, 0. 058 g of BF3?, 20' Of n-propanol were added to 50 mLStainless steel-lined reactor with Teflon, Heated to 180 ° C, The reaction was carried out at that temperature for 40 h. Filtration, To remove unreacted sucrose and other insoluble impurities, The solvent was removed by rotary evaporation, 2 mL H20 was added and the organic phase was extracted with methyl isobutyl ketone, The resulting organic phase was rotary evaporated to a high purity furan derivative, The isolated yield was 89percent. The qualitative analysis of the reaction products was carried out by gas chromatography-mass spectrometry (GC-MS)And with the standard material (HMF, Propoxyl methyl furfural and propyl propionate)The retention times in gas chromatography (GC) were compared and confirmed. Quantitative analysis of the yield distribution of different furan derivatives was determined by 4 NMR, The product distribution results are:5-propoxymethylfurfural was 65percent, HMF was 0percent and propyl levulinate was 35percent.1.8 g of sucrose, 0.271 g of GeCl4, 0.091 g of BBr3, and 20 mL of n-propanol were added to 50 mL of a polyTetrafluoroethylene-lined stainless steel reactor, Heated to l00 ° C, The reaction was carried out at that temperature for 10 h. Filtration, To remove unreacted sucrose and other insoluble impurities, The solvent was removed by rotary evaporation, 2 mL H20 was added and the organic phase was extracted with methyl isobutyl ketone, The resulting organic phase was rotary evaporated to a high purity furan derivative, The isolated yield was 83percent. The qualitative analysis of the reaction products was carried out by gas chromatography-mass spectrometry (GC-MS)And with the standard material (HMF, 5-propoxymethylfurfural and propyl propionate) in gas chromatography (GC) were compared and confirmed. Quantitative analysis of the yield distribution of different furan derivatives was confirmed by 1H NMR, The product distribution results are:5-propoxymethylfurfural was 72percent, HMF was 9percentPropyl propionate was 19percentGeneral procedure: Esterification of levulinic acid was carried out in a 50mL round bottom flask equipped with a reflux condenser. In a typical catalytic reaction the catalyst (40mg) was added to a mixture of levulinic acid and ethanol with the molar ratio of LA: alcohol=1:8 (ethanol acts as reagent cum solvent) and the mixture was magnetically stirred at 333K for 2h. A portion of the reaction mixture was separated after the scheduled reaction time through filtration and the filtrate was then analyzed through the gas chromatography (GC) equipped with a flame-ionized detector and a capillary column. All compounds were characterized on the basis of their spectroscopic data (1.8 g of sucrose, 0.361 g of SnCl4, 0. 058 g of BF3?, 20' Of n-propanol were added to 50 mLStainless steel-lined reactor with Teflon, Heated to 180 ° C, The reaction was carried out at that temperature for 40 h. Filtration, To remove unreacted sucrose and other insoluble impurities, The solvent was removed by rotary evaporation, 2 mL H20 was added and the organic phase was extracted with methyl isobutyl ketone, The resulting organic phase was rotary evaporated to a high purity furan derivative, The isolated yield was 89percent. The qualitative analysis of the reaction products was carried out by gas chromatography-mass spectrometry (GC-MS)And with the standard material (HMF, Propoxyl methyl furfural and propyl propionate)The retention times in gas chromatography (GC) were compared and confirmed. Quantitative analysis of the yield distribution of different furan derivatives was determined by 4 NMR, The product distribution results are:5-propoxymethylfurfural was 65percent, HMF was 0percent and propyl levulinate was 35percent.1.8 g of sucrose, 0.271 g of GeCl4, 0.091 g of BBr3, and 20 mL of n-propanol were added to 50 mL of a polyTetrafluoroethylene-lined stainless steel reactor, Heated to l00 ° C, The reaction was carried out at that temperature for 10 h. Filtration, To remove unreacted sucrose and other insoluble impurities, The solvent was removed by rotary evaporation, 2 mL H20 was added and the organic phase was extracted with methyl isobutyl ketone, The resulting organic phase was rotary evaporated to a high purity furan derivative, The isolated yield was 83percent. The qualitative analysis of the reaction products was carried out by gas chromatography-mass spectrometry (GC-MS)And with the standard material (HMF, 5-propoxymethylfurfural and propyl propionate) in gas chromatography (GC) were compared and confirmed. Quantitative analysis of the yield distribution of different furan derivatives was confirmed by 1H NMR, The product distribution results are:5-propoxymethylfurfural was 72percent, HMF was 9percentPropyl propionate was 19percent

Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Molecular Weight:158.19
XLogP3:0.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:158.094294304
Monoisotopic Mass:158.094294304
Topological Polar Surface Area:43.4
Heavy Atom Count:11
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes