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2,4-dimethyl-2-pentenoic acid
2-pentenoic acid, 2,4-dimethyl-

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Name:2,4-dimethylpent-2-enoic acid
CAS Number: 66634-97-7Picture of molecule3D/inchi
FDA UNII:YSD821326P
Nikkaji Web:J761.177C
MDL:MFCD00209505
CoE Number:744
XlogP3-AA:1.70 (est)
Molecular Weight:128.17104000
Formula:C7 H12 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Registername to be changed to (2E)-4-Dimethylpent-2-enoic acid. According to JECFA: Min. assay value is "92 (sum of isomers)" and secondary components "4-methyl-2-methylenevaleric acid".
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:1211 2,4-dimethyl-2-pentenoic acid
FEMA Number:3143 2,4-dimethyl-2-pentenoic acid
FDA Mainterm: 2,4-DIMETHYL-2-PENTENOIC ACID
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 92.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Boiling Point: 133.00 to 134.00 °C. @ 15.00 mm Hg
Vapor Pressure:0.052000 mm/Hg @ 25.00 °C. (est)
Flash Point: 254.00 °F. TCC ( 123.33 °C. )
logP (o/w): 1.940 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 2471 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: acidic
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
acidic fruity cheesy honey
Odor Description:at 1.00 % in dipropylene glycol. acidic fruity cheese honey
tart acidic fruity sweaty cheesy honey floral animal
Odor Description:Tangy, acidic, fruity, sweaty and cheesy with honey and floral nuances, and an animal undernote
Mosciano, Gerard P&F 21, No. 3, 51, (1996)
Flavor Type: sour
tart acidic cheesy ripe fruity animal
Taste Description: at 25.00 ppm. Tangy, acidic and cheesy with ripe, fruity and animal nuances
Mosciano, Gerard P&F 21, No. 3, 51, (1996)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2,4-Dimethyl-2-pentenoic Acid
Endeavour Specialty Chemicals
2,4-Dimethyl-2-pentenoic acid 98% F&F
Speciality Chemical Product Groups
Parchem
2,4-dimethyl-2-pentenoic acid
Penta International
2,4-DIMETHYL-2-PENTENOIC ACID, Kosher
Sigma-Aldrich: Aldrich
For experimental / research use only.
2,4-Dimethyl-2-pentenoic Acid
Synerzine
2,4-Dimethyl-2-Pentenoic Acid
Treatt
2,4-Dimethyl-2-pentenoic acid
Halal, Kosher
Odor: sour cheese, cream cheese
Flavor: cheese
Used in cheese flavours , at 20ppm in bakery, at 10ppm in frozen dairy and desserts, and at 5ppm in non-alcoholic beverages.
 
Safety Information:
Preferred SDS: View
 
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 2,4-dimethyl-2-pentenoic acid usage levels up to:
 not for fragrance use.
 
Structure Class: I
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: 4
 average usual ppmaverage maximum ppm
baked goods: -1.50000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -1.00000
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 :5362565
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2,4-dimethylpent-2-enoic acid
Chemidplus:0066634977
 
References:
 2,4-dimethylpent-2-enoic acid
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:66634-97-7
Pubchem (cid):5362565
Pubchem (sid):135267816
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB39819
FooDB:FDB019470
Export Tariff Code:2916.19.9590
ChemSpider:View
 
Potential Blenders and core components note
For Odor
cheesy
2-
methyl-2-hexenoic acid
FR
floral
decyl formate
FR
green
4-
methyl-4-phenyl pentanone
FR
For Flavor
No flavor group found for these
1-
acetyl cyclohexyl acetate
FL
ethyl cyclohexyl carboxylate
FL
(E,E)-2,4-
heptadien-1-ol
FL
(Z)-3-
hexenoic acid
FL
3-
mercapto-3-methyl butyl formate
FL
5-
methyl hexanoic acid
FL
4-
methyl valeric acid
FL
acidic
acidic
(E)-2-
hexenoic acid
FL
buttery
(E)-2-
pentenoic acid
FL
creamy
acetoin butyrate
FL
2-
methyl-4-pentenoic acid
FL
dairy
4-
pentenoic acid
FL
fatty
(E)-2-
octenoic acid
FL
fermented
methyl thio isovalerate
FL
fishy
trimethyl amine
FL
fruity
ethyl 3-oxohexanoate
FL
methyl 4-phenyl butyrate
FL
meaty
2-
methyl 3-(methyl thio) furan
FL
12-
methyl tridecanal
FL
sour
acetic acid
FL
3-
methyl valeric acid
FL
sulfurous
methyl 4-(methyl thio) butyrate
FL
 
Potential Uses:
 berry mixedFL
 cheeseFL
 chocolateFL
 fruit 
 tropicalFL
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
(E+Z)-2,4-dimethyl pent-2-enoic acid
2,4-dimethyl pent-2-enoic acid
2,4-dimethylpent-2-enoic acid
2-pentenoic acid, 2,4-dimethyl-
 
 
Notes:
None found
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