Identification

Namemethyl levulinate
IUPACmethyl 4-oxopentanoate
CAS Number624-45-3
EINECS210-846-4
FDA UNII3Q95S830W6
Molecular FormulaC6 H10 O3
Molecular Weight130.14330000
MDL NumberMFCD00017499
Nikkaji NumberJ45.094D
Beilstein1754008
XlogP3-0.10 (est)

Regulatory

JECFA Food Flavoring1970 methyl levulinate
FEMA Number4478
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)624-45-3 ; METHYL LEVULINATE

Physical Properties

Appearance colorless clear liquid (est)
Assay 98.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 1.04900 to 1.05500 @ 20.00 °C.
Pounds per Gallon - (est). 8.739 to 8.789
Refractive Index 1.41900 to 1.42500 @ 20.00 °C.
Boiling Point 196.00 °C. @ 760.00 mm Hg
Acid Value 1.00 max. KOH/g
Vapor Pressure 0.408000 mmHg @ 25.00 °C. (est)
Flash Point 161.00 °F. TCC ( 71.67 °C. )
logP (o/w) -0.130
Soluble in alcohol
Similar Items note

Organoleptic Properties

Odor Strength low
Odor Description caramellic

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavoring agents
Recommendation for methyl levulinate usage levels up tonot for fragrance use.
baked goods3.00000
beverages(nonalcoholic)0.01000
beverages(alcoholic)0.30000
breakfast cereal-
cheese3.00000
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils3.00000
fish products-
frozen dairy0.05000
fruit ices0.60000
gelatins / puddings-
granulated sugar-
gravies-
hard candy0.10000
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products-
milk products3.00000
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods3.00000
soft candy-
soups-
sugar substitutes-
sweet sauces-

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Potential Uses

None Found

Natural Occurrence

not found in nature

Synonyms

laevulic acid methyl ester levulinic acid methyl ester levulinic acid, methyl ester methyl 4-ketovalerate methyl 4-oxopentanoate methyl 4-oxovalerate methyllevulinate 4-oxo pentanoic acid methyl ester 4-oxo- pentanoic acid methyl ester pentanoic acid, 4-oxo-, methyl ester pentanoic acid, 4-oxo-,methyl ester 4-oxo valeric acid methyl ester PubMed: Ecotoxicity studies of the levulinate ester series. PubMed: Successful treatment of recalcitrant folliculitis barbae and pseudofolliculitis barbae with photodynamic therapy. PubMed: Protoporphyrin fluorescence induced by methyl-ALA in skin healing. PubMed: Conversion of levulinate into succinate through catalytic oxidative carbon-carbon bond cleavage with dioxygen. PubMed: Catch-and-release probes applied to semi-intact cells reveal ubiquitin-specific protease expression in Chlamydia trachomatis infection. PubMed: First enantioselective total synthesis of (+)-(R)-Pinnatolide using an asymmetric domino allylation reaction. PubMed: One-pot preparation of methyl levulinate from catalytic alcoholysis of cellulose in near-critical methanol. PubMed: Acid-catalyzed conversion of xylose in methanol-rich medium as part of biorefinery. PubMed: Concise one-pot preparation of unique bis-pyrrolidinone tetrazoles. PubMed: Reaction pathways of glucose during esterification: effects of reaction parameters on the formation of humin type polymers. PubMed: Acidic resin-catalysed conversion of fructose into furan derivatives in low boiling point solvents. PubMed: Effectiveness of cross polarized light and fluorescence diagnosis for detection of sub-clinical and clinical actinic keratosis during imiquimod treatment. PubMed: Methyl-ALA-induced fluorescence in photodynamic diagnosis of basal cell carcinoma prior to Mohs micrographic surgery. PubMed: Failure to treat keratoderma in Papillon-Lefevre syndrome using photodynamic therapy. PubMed: Interference by methyl levulinate in determination of total fat in low-fat, high-sugar products by gas chromatographic fatty acid methyl ester (GC-FAME) analysis. PubMed: [Synthesis of enantiomerically pure 6,10-epoxybenzocycloocten-7-amines with CNS activity]. PubMed: On the mechanism of action of vitamin B 12 . Model studies. Thermal rearrangement of methyl 3,3-dimethylglycidate to methyl levulinate.