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isoamyl levulinate
3-methylbutyl 4-oxopentanoate

Supplier Sponsors

CAS Number: 71172-75-3Picture of molecule3D/inchi
FDA UNII:P35CN794AQ
Nikkaji Web:J43.374H
MDL:MFCD00797946
XlogP3-AA:1.40 (est)
Molecular Weight:186.25106000
Formula:C10 H18 O3
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance 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
JECFA Food Flavoring:1972 isoamyl levulinate
FEMA Number:4481 isoamyl levulinate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):71172-75-3 ; ISOAMYL LEVULINATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.95700 to 0.96300 @ 20.00 °C.
Pounds per Gallon - (est).: 7.972 to 8.022
Refractive Index:1.42700 to 1.43300 @ 20.00 °C.
Boiling Point: 252.00 to 253.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.019000 mmHg @ 25.00 °C. (est)
Flash Point: 219.00 °F. TCC ( 103.89 °C. )
logP (o/w): 1.811 (est)
Soluble in:
 alcohol
 water, 1858 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl levulinate
benzyl levulinate
butyl levulinate
ethyl levulinate
(Z)-3-hexen-1-yl levulinate
methyl levulinate
propyl levulinate
isopropyl levulinate
 
Organoleptic Properties:
Odor Type: caramellic
Odor Strength:low
ethereal caramellic
Odor Description:at 100.00 %. ethereal caramellic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Pentanoic acid, 4-oxo-,3-methylbutyl ester
BOC Sciences
For experimental / research use only.
isoAmyl Levulinate
Inoue Perfumery
isoAMYL LEVULINATE
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
 
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:
flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
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: 0.010000.10000
beverages(nonalcoholic): 1.0000010.00000
beverages(alcoholic): 0.100000.70000
breakfast cereal: --
cheese: --
chewing gum: 0.200002.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: 0.200002.00000
gelatins / puddings: 0.200001.50000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
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 :522404
National Institute of Allergy and Infectious Diseases:Data
3-methylbutyl 4-oxopentanoate
Chemidplus:0071172753
 
References:
 3-methylbutyl 4-oxopentanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):522404
Pubchem (sid):126502939
 
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):Search
ChemSpider:View
FAO:Isoamyl levulinate
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
iso-amyl levulinate
 levulinic acid isopentyl ester
3-methyl butyl 4-oxopentanoate
3-methylbutyl 4-oxopentanoate
4-oxo-pentanoic acid 3-methyl butyl ester
4-oxo-pentanoic acid 3-methylbutyl ester
 pentanoic acid, 4-oxo-, 3-methylbutyl ester
 pentanoic acid, 4-oxo-,3-methylbutyl ester
isopentyl 4-oxopentanoate
iso-pentyl 4-oxopentanoate
isopentyl levulinate
 

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