EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

methyl levulinate
methyl 4-oxopentanoate

Supplier Sponsors

Name:methyl 4-oxopentanoate
CAS Number: 624-45-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-846-4
FDA UNII:3Q95S830W6
Nikkaji Web:J45.094D
Beilstein Number:1754008
MDL:MFCD00017499
XlogP3:-0.10 (est)
Molecular Weight:130.14330000
Formula:C6 H10 O3
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:1970 methyl levulinate
FEMA Number:4478 methyl levulinate
FDA:No 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
 water, 1.186e+005 mg/L @ 25 °C (est)
Similar Items:note
allyl levulinate
isoamyl levulinate
benzyl levulinate
butyl levulinate
ethyl levulinate
(Z)-3-hexen-1-yl levulinate
propyl levulinate
isopropyl levulinate
 
Organoleptic Properties:
Odor Strength:low
Odor Description:caramellic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Methyl Levulinate
Inoue Perfumery
METHYL LEVULINATE
Penta International
METHYL LEVULINATE
Santa Cruz Biotechnology
For experimental / research use only.
Methyl Levulinate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Methyl levulinate purum, ≥98.0% (GC)
Synerzine
Methyl Levulinate
TCI AMERICA
For experimental / research use only.
Methyl Levulinate >99.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
flavoring agents
Recommendation for methyl levulinate usage levels up to:
 not for fragrance use.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 24
Click here to view publication 24
 average usual ppmaverage maximum ppm
baked goods: 3.0000010.00000
beverages(nonalcoholic): 0.010000.10000
beverages(alcoholic): 0.300003.00000
breakfast cereal: --
cheese: 3.0000010.00000
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: 3.0000010.00000
fish products: --
frozen dairy: 0.050005.00000
fruit ices: 0.600006.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.1000050.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 3.0000010.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 3.0000010.00000
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :69354
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
methyl 4-oxopentanoate
Chemidplus:0000624453
 
References:
 methyl 4-oxopentanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:624-45-3
Pubchem (cid):69354
Pubchem (sid):135027922
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB41602
FooDB:FDB021756
Export Tariff Code:2918.30.9000
ChemSpider:View
Wikipedia:View
FAO:Methyl levulinate
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 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-oxopentanoic acid methyl ester
4-oxo-pentanoic acid methyl ester
 pentanoic acid, 4-oxo-, methyl ester
 pentanoic acid, 4-oxo-,methyl ester
4-oxovaleric acid methyl ester
 

Articles:

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.
 
Notes:
Caramellic flavouring agent [CCD]
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