isobutyl 2-butenoate
isobutyl crotonate

Sponsors

Name: 2-methylpropyl but-2-enoate
CAS Number: 589-66-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 209-658-5
MDL: MFCD00036651
CoE Number: 10706
XlogP3-AA: 2.30 (est)
Molecular Weight: 142.19798000
Formula: C8 H14 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments:
CASrn does not specify stereoisomers. According to JECFA: Min. assay value is "95 % of C8H16O2". Mixture of (Z)- and (E)-isomer (EFFA, 2010). CASrn in Register does not specify stereoisomeric composition. 70-85 % (E) and 10-35 % (Z) (EFFA, 2013). According to JECFA: Min. assay value is "95 % of C8H16O2".
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1206 isobutyl 2-butenoate
Flavis Number: 09.273 (Old)
DG SANTE Food Flavourings: 09.273 isobutyl crotonate
FEMA Number: 3432 isobutyl 2-butenoate
FDA Mainterm: ISOBUTYL 2-BUTENOATE
 
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: Yes
Specific Gravity: 0.89000 25.00 °C.
Specific Gravity: 0.88000 to 0.90000 @ 25.00 °C.
Pounds per Gallon - est.: 7.322 to 7.489
Boiling Point: 171.00 °C. @ 760.00 mm Hg
Boiling Point: 70.00 °C. @ 15.00 mm Hg
Vapor Pressure: 1.788000 mm/Hg @ 25.00 °C. (est)
Vapor Density: 4.6 ( Air = 1 )
Flash Point: 131.00 °F. TCC ( 55.00 °C. )
logP (o/w): 2.669 (est)
Soluble in:
 alcohol
 fixed oils
 propylene glycol
 water, slightly
 water, 555.2 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength: medium
Substantivity: 137 hour(s) at 100.00 %
 fruity dry tropical rummy ripe green pear caramellic
Odor Description:
at 100.00 %.
fruity dry tropical rummy ripe green pear (caramellic is the long drydown)
Luebke, William tgsc, (1996)
 woody fruity brown ripe alcoholic cognac rummy
Odor Description:
Woody, fruity, brown, ripe and alcoholic-like with cognac and rum nuances
Mosciano, Gerard P&F 20, No. 6, 49, (1995)
Flavor Type: green
 sweet green chemical alcoholic licorice tropical fruity
Taste Description:
Sweet, green, chemical and alcoholic-like with licorice, tropical and fruity nuances
Mosciano, Gerard P&F 20, No. 6, 49, (1995)
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
ISOBUTYL 2-BUTENOATE (CROTONATE) ≥99.0%, FCC, Kosher
Odor Description: A fruity, rum-like character
Can enhance berry qualities of fragrances.
Taste Description: Sweet, fruity, tropical, candy pineapple
Sweet, fruity candy notes for all types of fruit flavors, especially pineapple and other tropical fruits.
Frutarom
ISOBUTYL 2-BUTENOATE ≥99.00%, NI, Kosher
Odor Description: Banana, Fruity, Pineapple, Sweet
Suggested Uses: Apple, Banana, Hard Fruits, Liquorice, Pineapple, Plum, Soft Fruits, Tropical Fruits
Taste Description: waxy fruity sweet apple pineapple
 
Cosmetic Information:
None found
 
Suppliers:
Alfrebro
ISOBUTYL CROTONATE NATURAL
Odor: Fruity
Apiscent Labs
ISOBUTYL CROTONATE
Odor: Fruity
Apple Flavor & Fragrance
Isobutyl crotonate
Bedoukian Research
ISOBUTYL 2-BUTENOATE (CROTONATE)
≥99.0%, FCC, Kosher
Odor: A fruity, rum-like character
Use: Can enhance berry qualities of fragrances.
Flavor: Sweet, fruity, tropical, candy pineapple
Sweet, fruity candy notes for all types of fruit flavors, especially pineapple and other tropical fruits.
BOC Sciences
For experimental / research use only.
isoBUTYL 2-BUTENOATE FCC 99.0%
Charkit Chemical
ISOBUTYL 2-BUTENOATE FEMA 3432
Frutarom
ISOBUTYL 2-BUTENOATE
≥99.00%, NI, Kosher
Odor: Banana, Fruity, Pineapple, Sweet
Use: Suggested Uses: Apple, Banana, Hard Fruits, Liquorice, Pineapple, Plum, Soft Fruits, Tropical Fruits
Grau Aromatics
iso-BUTYL-CROTONATE FCC
NI, Kosher
Inoue Perfumery
isoBUTYL CROTONATE
Penta International
isoBUTYL 2-BUTENOATE NATURAL, Kosher
Penta International
ISOBUTYL-2-BUTENOATE, Kosher
Reincke & Fichtner
isoButyl 2-butenoate
Santa Cruz Biotechnology
For experimental / research use only.
isoButyl Crotonate
Shanghai Vigen Fine Chemical
isoButyl Crotonate
SRS Aromatics
isoBUTYL CROTONATE FCC
Taytonn
isoButyl 2-butenoate
TCI AMERICA
For experimental / research use only.
isoButyl Crotonate >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
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
Recommendation for isobutyl 2-butenoate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.46 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 45.00 (μg/capita/day)
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: 8
 average usual ppmaverage maximum ppm
baked goods: -5.00000
beverages(nonalcoholic): -3.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -25.00000
condiments / relishes: --
confectionery froastings: -8.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -3.00000
fruit ices: -3.00000
gelatins / puddings: -3.00000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: -3.00000
meat products: --
milk products: -3.00000
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):
Flavouring Group Evaluation 72 (FGE.72): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids. Esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 72, Revision 1 (FGE.72Rev1): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids, esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 589-66-2
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 61135
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 3272
WGK Germany: 3
 2-methylpropyl but-2-enoate
Chemidplus: 0000589662
 
References:
 2-methylpropyl but-2-enoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 589-66-2
Pubchem (cid): 61135
Pubchem (sid): 135017868
 
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): HMDB36212
FooDB: FDB015070
Export Tariff Code: 2916.19.5000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
 
Potential Blenders and core components note
For Odor
animal
methyl (E)-2-octenoate
FL/FR
citrus
bitter
orange peel oil brazil
FL/FR
creamy
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
ethereal
decyl propionate
FL/FR
ethyl formate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
(E)-2-
octenal
FL/FR
fermented
iso
butyl decanoate
FL/FR
hexanal diethyl acetal
FL/FR
3-
methyl-1-pentanol
FL/FR
floral
(Z)-3-
hexen-1-yl salicylate
FL/FR
rose butanoate
FL/FR
tuberose acetate
FR
fruity
allyl cyclohexyl acetate
FL/FR
allyl propionate
FL/FR
iso
amyl acetate
FL/FR
amyl formate
FL/FR
iso
amyl isovalerate
FL/FR
amyl valerate
FL/FR
berry pentadienoate
FL/FR
iso
butyl isovalerate
FL/FR
dihydroactinidolide
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
(E,E)-
ethyl sorbate
FL/FR
4-
heptanone
FL/FR
neryl isobutyrate
FL/FR
pineapple hydroxyhexanoate
FL/FR
prenyl acetate
FL/FR
iso
propyl butyrate
FL/FR
propyl heptanoate
FL/FR
propyl isobutyrate
FL/FR
green
(E)-2-
hexen-1-yl valerate
FL/FR
hexyl isobutyrate
FL/FR
phenethyl tiglate
FL/FR
herbal
anthemis nobilis flower oil roman
FL/FR
clary sage absolute
FL/FR
honey
methyl phenyl acetate
FL/FR
musty
ketoiso
phorone
FL/FR
soapy
ethyl undecanoate
FL/FR
spicy
clove bud concrete
FR
methyl heptadienone
FL/FR
(E)-
tiglic acid
FL/FR
sulfurous
ethyl methyl mercaptopropionate
FL/FR
For Flavor
No flavor group found for these
amyl valerate
FL/FR
iso
butyl decanoate
FL/FR
decyl propionate
FL/FR
dihydroactinidolide
FL/FR
hexanal diethyl acetal
FL/FR
alliaceous
alliaceous
allyl propionate
FL/FR
brown
(E)-
tiglic acid
FL/FR
citrus
ketoiso
phorone
FL/FR
ethereal
ethyl formate
FL/FR
fatty
(E)-2-
octenal
FL/FR
floral
methyl phenyl acetate
FL/FR
fruity
allyl cyclohexyl acetate
FL/FR
iso
amyl acetate
FL/FR
amyl formate
FL/FR
berry pentadienoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl 3-oxohexanoate
FL
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
(E,E)-
ethyl sorbate
FL/FR
furfuryl isovalerate
FL
4-
heptanone
FL/FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
methyl (E)-2-octenoate
FL/FR
neryl isobutyrate
FL/FR
bitter
orange peel oil brazil
FL/FR
pineapple hydroxyhexanoate
FL/FR
prenyl acetate
FL/FR
iso
propyl butyrate
FL/FR
propyl isobutyrate
FL/FR
rose butanoate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
green
iso
amyl isovalerate
FL/FR
iso
butyl isovalerate
FL/FR
clary sage absolute
FL/FR
(E)-2-
heptenal
FL
(Z)-3-
hexen-1-yl salicylate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
hexyl isobutyrate
FL/FR
methyl heptadienone
FL/FR
4-
methyl-2-pentenal
FL
phenethyl tiglate
FL/FR
herbal
anthemis nobilis flower oil roman
FL/FR
mushroom
methional diethyl acetal
FL
sulfurous
ethyl methyl mercaptopropionate
FL/FR
sweet
acetone alcohol
FL
waxy
ethyl undecanoate
FL/FR
propyl heptanoate
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
 
Potential Uses:
 appleFR
 bananaFR
 blueberryFR
 cognacFR
 fruitFR
 fruit tropical fruit 
 grapeFR
 honey mielFR
 licoriceFR
 pineappleFR
 plumFR
 saffronFR
 
Occurrence (nature, food, other): note
 grape
Search Trop Picture
 
Synonyms:
2-butenoic acid 2-methyl propyl ester
2-butenoic acid 2-methylpropyl ester
2-butenoic acid, 2-methylpropyl ester
isobutyl 2-butenoate (crotonate)
isobutyl but-2-enoate
isobutyl crotonate
isobutyl-2-butenoate
iso-butyl-crotonate FCC
 crotonic acid isobutyl ester
2-methyl propyl 2-butenoate
2-methyl propyl crotonate
2-methylpropyl but-2-enoate
 
 
Notes:
Flavouring ingredient
 
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