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624-45-3

624-45-3 Structure

624-45-3 Structure
IdentificationMore
[Name]

Methyl levulinate
[CAS]

624-45-3
[Synonyms]

3-ACETYLPROPIONIC ACID METHYL ESTER
4-KETOVALERIC ACID METHYL ESTER
4-OXOVALERIC ACID METHYL ESTER
LEVULINIC ACID METHYL ESTER
METHYL 4-OXOVALERATE
METHYL LEVULINATE
4-Oxo-pentanoic acid methyl ester (methyl levulinate)
4-oxo-pentanoicacidmethylester
4-oxo-pentanoicacimethylester
Methyl 4-oxopentanoate
Methyl ester of 4-Oxopentanoic acid
Methyl levulate
METHYL LEVUINATE
Pentanoic acid, 4-oxo-, methyl ester
PENTANOICACID,4-OXO-,METHYL
Methyl levulinate, 99+%
Methyl b-acetylpropionate
Methyl 3-acetylpropionate
[EINECS(EC#)]

210-846-4
[Molecular Formula]

C6H10O3
[MDL Number]

MFCD00017499
[Molecular Weight]

130.14
[MOL File]

624-45-3.mol
Chemical PropertiesBack Directory
[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
[color ]

Clear Colourless
[Specific Gravity]

1.05
[Odor]

caramellic
[Odor Type]

caramellic
[JECFA Number]

1970
[BRN ]

1754008
[InChI]

1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3
[InChIKey]

UAGJVSRUFNSIHR-UHFFFAOYSA-N
[SMILES]

COC(=O)CCC(C)=O
[LogP]

-0.13
[Surface tension]

36mN/m at 293.15K
[CAS DataBase Reference]

624-45-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Pentanoic acid, 4-oxo-, methyl ester(624-45-3)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H227
[Precautionary statements ]

P210e-P280a-P370+P378a-P403+P235-P501a
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

29183000
[Storage Class]

10 - Combustible liquids
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Methyl levulinate(624-45-3).msds
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

Methyl levulinate is mainly used as raw material on perfume.
[Definition]

ChEBI: 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 Description]

Methyl levulinate can be synthesized from glucose in the presence of a few drops of dilute sulfuric acid in methanol.
[Synthesis]

The acid was converted to the ester by boiling in methanol (0.5 M solution) in the presence of concentrated sulfuric acid (500 μL). The reaction was followed by TLC (heptane/EtOAc 2:1). When only trace amounts of acid remained, the reaction mixture was co
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl levulinate(624-45-3)MS
Methyl levulinate(624-45-3)1HNMR
Methyl levulinate(624-45-3)13CNMR
Methyl levulinate(624-45-3)IR1
Methyl levulinate(624-45-3)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Methyl levulinate, 99+%(624-45-3)
[Sigma Aldrich]

624-45-3(sigmaaldrich)
[TCI AMERICA]

Methyl Levulinate,>99.0%(GC)(624-45-3)
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