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2-methyl-3-pentenoic acid
isofragarone (IFF)

Supplier Sponsors

Flavor Demo Formulas
Name:2-methylpent-3-enoic acid
CAS Number: 37674-63-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:253-610-6
FDA UNII:7N2Z33Q5NJ
Nikkaji Web:J261.221F
CoE Number:10147
XlogP3-AA:1.30 (est)
Molecular Weight:114.14410000
Formula:C6 H10 O2
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:(E)-2-methyl-3-pentenoic acid
 (Z)-2-methyl-3-pentenoic acid
EFSA/JECFA Comments:
JECFA evaluated 2-methyl-3-pentenoic-acid (CASrn as in Register). (Z)- or (E)-isomer not specified by CASrn in Register.
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:347 2-methyl-3-pentenoic acid
FLAVIS Number:08.058 (Old)
DG SANTE Food Flavourings:08.058 2-methylpent-3-enoic acid
FEMA Number:3464 2-methyl-3-pentenoic acid
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):37674-63-8 ; 2-METHYL-3-PENTENOIC ACID
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Additional Assay Information:as 60/40 mix of Z/E isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.96000 to 0.96600 @ 25.00 °C.
Pounds per Gallon - (est).: 7.988 to 8.038
Refractive Index:1.43000 to 1.43700 @ 20.00 °C.
Boiling Point: 199.00 to 200.00 °C. @ 760.00 mm Hg
Boiling Point: 85.00 °C. @ 10.00 mm Hg
Vapor Pressure:0.139000 mmHg @ 25.00 °C. (est)
Flash Point: 202.00 °F. TCC ( 94.44 °C. )
logP (o/w): 1.413 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:store under nitrogen.
Storage:refrigerate in tightly sealed containers. store under nitrogen.
Soluble in:
 alcohol
 water, very slightly
 water, 8168 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: nutty
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
cranberry hazelnut nutty
Odor Description:at 1.00 % in ethyl alcohol. cranberry hazelnut nutty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Methyl-3-pentenoic Acid 95%
Parchem
2-methyl-3-pentenoic acid
Penta International
2-METHYL-3-PENTENOIC ACID 1% IN ETHYL ALCOHOL
Penta International
2-METHYL-3-PENTENOIC ACID
 
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
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.20 (μg/capita/day)
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: 9
 average usual ppmaverage maximum ppm
baked goods: -10.00000
beverages(nonalcoholic): -10.00000
beverages(alcoholic): --
breakfast cereal: -10.00000
cheese: --
chewing gum: -10.00000
condiments / relishes: --
confectionery froastings: -10.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -10.00000
fruit ices: -10.00000
gelatins / puddings: -10.00000
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:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf

Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5
View page or View pdf

Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):37674-63-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61969
National Institute of Allergy and Infectious Diseases:Data
2-methylpent-3-enoic acid
Chemidplus:0037674638
 
References:
 2-methylpent-3-enoic acid
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:37674-63-8
Pubchem (cid):61969
Pubchem (sid):135019371
 
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 Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB31562
FooDB:FDB008177
ChemSpider:View
 
Potential Blenders and core components note
For Odor
camphoreous
butyrophenone
FL/FR
chocolate
2-
methoxy-3-methyl pyrazine
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
cocoa
2-iso
butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR
fruity
nonyl isovalerate
FL/FR
musty
hazelnut pyrazine
FL/FR
nutty
2-
acetyl-3,5-dimethyl pyrazine
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
popcorn
2-
acetyl pyrazine
FL/FR
2-
acetyl thiazole
FL/FR
sulfurous
2-
acetyl thiophene
FL/FR
For Flavor
No flavor group found for these
2-iso
butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR
butyrophenone
FL/FR
4,5-
dimethyl-2-ethyl thiazole
FL
2-
methyl-3-ethoxypyrazine
FL/FR
nonyl isovalerate
FL/FR
alliaceous
alliaceous
3-
mercapto-2-pentanone
FL
bitter
methyl ethoxypyrazine
FL
corn chip
2-
acetyl thiazole
FL/FR
musty
hazelnut pyrazine
FL/FR
nutty
2-
acetyl-3,5-dimethyl pyrazine
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
2,5-
diethyl-3-methyl pyrazine
FL
european
hazelnut oleoresin
FL
2-
methoxy-3-methyl pyrazine
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
onion
2-
acetyl thiophene
FL/FR
roasted
2-
acetyl pyrazine
FL/FR
 
Potential Uses:
FRstrawberry
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
isofragarone (IFF)
isofragarone-030 (IFF)
2-methyl pent-3-en-1-oic acid
2-methyl pent-3-enoic acid
2-methyl-3-pentenoic acid
2-methyl-3-pentenoic acid 1% in ethanol
2-methylpent-3-en-1-oic acid
2-methylpent-3-enoic acid
3-pentenoic acid, 2-methyl-
 
 
Notes:
Flavouring ingredient
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