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Methyl levulinate

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  • CAS:624-45-3
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Methyl levulinate Basic information
Product Name:Methyl levulinate
Synonyms:4-Oxo-pentanoic acid methyl ester (methyl levulinate);4-oxo-pentanoicacidmethylester;2-(3-pyridinylamino)propanoic acid;4-oxo-pentanoicacimethylester;Methyl 4-oxopentanoate;Methyl ester of 4-Oxopentanoic acid;Methyl levulate;METHYL 4-OXOVALERATE
CAS:624-45-3
MF:C6H10O3
MW:130.14
EINECS:210-846-4
Product Categories:C6 to C7;Carbonyl Compounds;Esters;Aromatic Esters
Mol File:624-45-3.mol
Methyl levulinate Structure
Methyl levulinate Chemical Properties
Melting point 237 °C
Boiling point 193-195 °C (lit.)
density 1.051 g/mL at 20 °C (lit.)
FEMA 4478 | METHYL LEVULINATE
refractive index n20/D 1.422
Fp 72°C
storage temp. Refrigerator
solubility It is soluble in ethanol, ether, acetone and benzene.
form Liquid
Specific Gravity1.05
color Clear Colourless
Odorcaramellic
Odor Typecaramellic
JECFA Number1970
BRN 1754008
InChI1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3
InChIKeyUAGJVSRUFNSIHR-UHFFFAOYSA-N
SMILESCOC(=O)CCC(C)=O
LogP-0.13
Surface tension36mN/m at 293.15K
CAS DataBase Reference624-45-3(CAS DataBase Reference)
NIST Chemistry ReferencePentanoic acid, 4-oxo-, methyl ester(624-45-3)
Safety Information
Safety Statements 23-24/25
WGK Germany 3
HS Code 29183000
Storage Class10 - Combustible liquids
MSDS Information
ProviderLanguage
Methyl levulinate English
SigmaAldrich English
ALFA English
Methyl levulinate Usage And Synthesis
Chemical PropertiesColorless liquid
UsesMethyl levulinate is mainly used as raw material on perfume.
DefinitionChEBI: Methyl levulinate is an oxo carboxylic acid.
Synthesis Reference(s)Journal of the American Chemical Society, 70, p. 2624, 1948 DOI: 10.1021/ja01188a004
Tetrahedron, 42, p. 4247, 1986 DOI: 10.1016/S0040-4020(01)87649-3
Synthetic Communications, 13, p. 509, 1983 DOI: 10.1080/00397918308081830
General DescriptionMethyl levulinate can be synthesized from glucose in the presence of a few drops of dilute sulfuric acid in methanol.
SynthesisThe acid was converted to the ester by boiling in methanol (0.5 M solution) in the presence of concentrated sulfuric acid (500 L). The reaction was followed by TLC (heptane/EtOAc 2:1). When only trace amounts of acid remained, the reaction mixture was cooled, concentrated, diluted with NaHCO3 solution, extracted with DCM, dried with MgSO4 and concentrated to give the end product methyl acetylpropionate.
Tag:Methyl levulinate(624-45-3) Related Product Information
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