3-isopropenyl pentane dioic acid
3-isopropenylpentanedioic acid
 
Notes:
Used as a food additive [EAFUS]
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CAS Number: 6839-75-4Picture of molecule3D/inchi
FDA UNII: AX5QW8656N
Nikkaji Web: J1.014.516C
XlogP3-AA: 0.70 (est)
Molecular Weight: 170.16450000
Formula: C8 H10 O4
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Pubchem Patents: Search
JECFA Food Flavoring: 1620  3-isopropenylpentanedioic acid
FEMA Number: 4352 3-isopropenylpentanedioic acid
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):6839-75-4 ; 3-ISOPROPENYLPENTANEDIOIC ACID
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Physical Properties:
Appearance: white crystalline solid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 110.00 °C. @ 760.00 mm Hg
Boiling Point: 297.00 to  299.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.000045 mmHg @ 25.00 °C. (est)
Flash Point: 329.00 °F. TCC ( 165.00 °C. ) (est)
logP (o/w): 0.683 (est)
Soluble in:
 water, 1.868e+004 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: savory
 
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 
 savory  cooked  roasted  
Odor Description:
at 10.00 % in dipropylene glycol. 
savory cooked roasted
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Parchem
3-isopropenyl pentane dioic acid
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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
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Safety in Use Information:
Category: flavoring agents
Recommendation for 3-isopropenyl pentane dioic 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: 23
Click here to view publication 23
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 0.200001.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.100000.50000
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: 0.200001.00000
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 71586903
National Institute of Allergy and Infectious Diseases: Data
 3-(prop-1-en-2-yl)pentanedioic acid
Chemidplus: 0006839754
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References:
 3-(prop-1-en-2-yl)pentanedioic acid
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 71586903
Pubchem (sid): 163639432
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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): HMDB32352
FooDB: FDB009649
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
 
For Flavor
 
No flavor group found for these
3,6-diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceriFL
3-(ethyl thio) butanolFL
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
1-(3-hydroxy-5-methyl-2-thienyl) ethanoneFL
1-phenyl-3(5)-propyl pyrazoleFL
 thioacetic acidFL
5-acetyl-2,3-dihydro-1,4-thiazineFL
S-allyl-laevo-cysteineFL
(±)-3-(methyl thio) heptanalFL
3-(methyl thio) methyl thiopheneFL
2-methyl-1-methyl thio-2-buteneFL
 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazineFL
meaty
 propyl 2-mercaptopropionateFL
nutty
2-butyl-2-butenalFL
popcorn
2-propionyl-2-thiazolineFL
roasted
 lactoyl ethanolamineFL
 lactoyl ethanolamine phosphateFL
sulfurous
2,4,6-trithiaheptane 10% in triacetinFL
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
3-(1-methylethenyl)pentanedioic acid
3-(1-methylvinyl)pentanedioic acid
3-(prop-1-en-2-yl)pentanedioic acid
3-isopropenyl pentanedioic acid
3-isopropenylglutaric acid
3-isopropenylpentanedioic acid
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Articles:
 None found yet.
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