Ethyl levulinate

Ethyl levulinate^[1]
Names
	Preferred IUPAC name Ethyl 4-oxopentanoate
	Other names Ethyl levulate; Ethyl laevulinate; Ethyl 4-ketovalerate; Ethyl 3-acetylpropionate; Ethyl 4-oxovalerate; Ethyl ketovalerate
Identifiers
CAS Number	539-88-8 ;
3D model (JSmol)	Interactive image;
ChEMBL	ChEMBL1235931 ;
ChemSpider	13853514 ;
ECHA InfoCard	100.007.936
EC Number	208-728-2;
PubChem CID	10883;
UNII	7BU24CSS2G;
CompTox Dashboard (EPA)	DTXSID8047058 ;
	InChI InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3 Key: GMEONFUTDYJSNV-UHFFFAOYSA-N ; InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3 Key: GMEONFUTDYJSNV-UHFFFAOYSA-N;
	SMILES CCOC(=O)CCC(=O)C;
Properties
Chemical formula	C7H12O3
Molar mass	144.170 g·mol−1
Density	1.016 g/cm3
Melting point	25 °C (77 °F; 298 K)
Boiling point	203 to 205 °C (397 to 401 °F; 476 to 478 K)
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Ethyl levulinate is an organic compound with the formula CH₃C(O)CH₂CH₂C(O)OC₂H₅. It is an ester derived from the keto acid levulinic acid. Ethyl levulinate can also be obtained by reaction between ethanol and furfuryl alcohol.^[3] These two synthesis options make ethyl levulinate a viable biofuel option, since both precursors can be obtained from biomass: levulinic acid from 6-carbon polymerized sugars such as cellulose, and furfural from 5-carbon polymerized sugars such as xylan and arabinan.

References

^ The Merck Index, (2013), Monograph M5144, O'Neil: The Royal Society of Chemistry. Available online at: https://www.rsc.org/Merck-Index/monograph/m5144
^ "Metabocard for Ethyl levulinate". Human Metabolite Database.
^ Leal Silva, Jean Felipe; Grekin, Rebecca; Mariano, Adriano Pinto; Maciel Filho, Rubens (2018). "Making Levulinic Acid and Ethyl Levulinate Economically Viable: A Worldwide Technoeconomic and Environmental Assessment of Possible Routes". Energy Technology. 6 (4): 613–639. doi:10.1002/ente.201700594. ISSN 2194-4296.

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[1] The Merck Index, (2013), Monograph M5144, O'Neil: The Royal Society of Chemistry. Available online at: https://www.rsc.org/Merck-Index/monograph/m5144

[2] "Metabocard for Ethyl levulinate". Human Metabolite Database.

[3] Leal Silva, Jean Felipe; Grekin, Rebecca; Mariano, Adriano Pinto; Maciel Filho, Rubens (2018). "Making Levulinic Acid and Ethyl Levulinate Economically Viable: A Worldwide Technoeconomic and Environmental Assessment of Possible Routes". Energy Technology. 6 (4): 613–639. doi:10.1002/ente.201700594. ISSN 2194-4296.

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[2]

[3]

Names

Preferred IUPAC name Ethyl 4-oxopentanoate
Other names Ethyl levulate Ethyl laevulinate Ethyl 4-ketovalerate Ethyl 3-acetylpropionate Ethyl 4-oxovalerate Ethyl ketovalerate
Identifiers
CAS Number	539-88-8^Y
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL1235931^N
ChemSpider	13853514^Y
ECHA InfoCard	100.007.936
EC Number	208-728-2
PubChem CID	10883
UNII	7BU24CSS2G
CompTox Dashboard (EPA)	DTXSID8047058
InChI InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3^Y Key: GMEONFUTDYJSNV-UHFFFAOYSA-N^Y InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3 Key: GMEONFUTDYJSNV-UHFFFAOYSA-N
SMILES CCOC(=O)CCC(=O)C
Properties
Chemical formula	C₇H₁₂O₃
Molar mass	144.170 g·mol⁻¹
Density	1.016 g/cm³
Melting point	25 °C (77 °F; 298 K)^[2]
Boiling point	203 to 205 °C (397 to 401 °F; 476 to 478 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references

Ethyl levulinate

References

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