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3-isopropenyl-6-oxoheptanoic acid
6-oxo-3-prop-1-en-2-ylheptanoic acid

Supplier Sponsors

Name:6-oxo-3-prop-1-en-2-ylheptanoic acid
CAS Number: 4436-82-2Picture of molecule3D/inchi
FDA UNII: 1NC781145Q
Nikkaji Web:J1.014.517A
XlogP3-AA:1.90 (est)
Molecular Weight:184.23512000
Formula:C10 H16 O3
NMR Predictor:Predict (works with chrome, Edge 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
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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:1954 3-isopropenyl-6-oxoheptanoic acid
FEMA Number:4461 3-isopropenyl-6-oxoheptanoic acid
FDA:No longer provide for the use of these seven synthetic flavoring substances
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.00900 to 1.03900 @ 20.00 °C.
Pounds per Gallon - (est).: 8.406 to 8.656
Refractive Index:1.44000 to 1.48000 @ 20.00 °C.
Boiling Point: 328.00 to 330.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000027 mmHg @ 25.00 °C. (est)
Flash Point: 336.00 °F. TCC ( 168.89 °C. )
logP (o/w): 1.270 (est)
Soluble in:
 water, 3694 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
3-isopropenyl-6-oxoheptanoic acid
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
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:
flavoring agents
Recommendation for 3-isopropenyl-6-oxoheptanoic acid 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: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 0.100000.50000
condiments / relishes: --
confectionery froastings: 0.050000.25000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.050000.25000
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: 0.100000.50000
soups: --
sugar substitutes: --
sweet sauces: --
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :4488713
National Institute of Allergy and Infectious Diseases:Data
6-oxo-3-prop-1-en-2-ylheptanoic acid
 6-oxo-3-prop-1-en-2-ylheptanoic acid
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):4488713
Pubchem (sid):79461212
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
UM BBD:Search
HMDB (The Human Metabolome Database):Search
FAO:3-Isopropenyl-6-oxoheptanoic acid
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 not found in nature
3-(1-methyl ethenyl)-6-oxo-heptanoic acid
3-(1-methylethenyl)-6-oxo-heptanoic acid
6-oxo-3-(prop-1-en-2-yl) heptanoic acid
6-oxo-3-(prop-1-en-2-yl)heptanoic acid
6-oxo-3-prop-1-en-2-ylheptanoic acid


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None found
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