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ethyl (E)-2-crotonate
ethyl trans-2-butenoate

Supplier Sponsors

Name:ethyl (E)-but-2-enoate
CAS Number: 623-70-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-808-7
FDA UNII:99YUC7A1X1
Nikkaji Web:J43.537F
Beilstein Number:0635834
MDL:MFCD00009289
CoE Number:2244
XlogP3-AA:1.30 (est)
Molecular Weight:114.14410000
Formula:C6 H10 O2
NMR Predictor:Predict (works with chrome or firefox)
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
PubMed:Search
NCBI:Search
FLAVIS Number:09.248 (Old)
DG SANTE Food Flavourings:09.248 ethyl trans-2-butenoate
FEMA Number:3486 ethyl trans-2-butenoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):623-70-1 ; ETHYL CROTONATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.91500 to 0.93000 @ 25.00 °C.
Pounds per Gallon - (est).: 7.614 to 7.739
Refractive Index:1.42300 to 1.42800 @ 20.00 °C.
Boiling Point: 142.00 to 143.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:6.866000 mmHg @ 25.00 °C. (est)
Vapor Density:3.9 ( Air = 1 )
Flash Point: 36.00 °F. TCC ( 2.22 °C. )
logP (o/w): 1.806 (est)
Soluble in:
 alcohol
 water, slightly
 water, 4259 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl crotonate
isoamyl crotonate
apple crotonate
benzyl crotonate
butyl (E)-2-crotonate
citronellyl crotonate
cyclohexyl crotonate
dimethyl benzyl carbinyl crotonate
ethyl crotonate
fig crotonate
geranyl crotonate
heptyl crotonate
(Z)-3-hexen-1-yl (E)-crotonate
(E)-3-hexen-1-yl crotonate
hexyl (E)-crotonate
octyl crotonate
phenethyl crotonate
3-phenyl propyl crotonate
plum crotonate
isopropyl (E)-crotonate
propyl crotonate
isopropyl 3-methyl thiocrotonate
 
Organoleptic Properties:
Odor Type: fermented
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
pungent chemical sweet alliaceous caramellic rummy
Odor Description:at 10.00 % in dipropylene glycol. pungent chemical diffusive sweet alliaceous caramel rum
pungent chemical sweet alliaceous caramellic rummy
Odor Description:Pungent, chemical and diffusive, with sweet alliaceous and caramellic rum-like nuances
Mosciano, Gerard P&F 15, No. 2, 69, (1990)
Flavor Type: musty
musty onion garlic caramellic brown
Taste Description: at 10.00 ppm. Musty, onion and garlic, caramellic and brown notes
Mosciano, Gerard P&F 15, No. 2, 69, (1990)
Odor and/or flavor descriptions from others (if found).
Frutarom
ETHYL TRANS-2-BUTENOATE
Odor Description:Caramel, Rum, Sweet
Suggested Uses: Alcoholic Beverages, Apple, Caramel, Chocolate, Hard Fruits, Passion Fruit, Pineapple, Strawberry
Taste Description:musty onion garlic caramel brown
Taytonn
Ethyl Trans-2-Butenoate
Odor Description:Sweet, Caramellic/ Caramel, Rum
Indukern F&F
ETHYL CROTONATE
Odor Description:ETHEREAL, POWERFUL, FRUITY
 
Cosmetic Information:
None found
 
Suppliers:
Advanced Biotech
ETHYL CROTONATE NATURAL
96% min.
Odor: Ethereal, rum
Alfrebro
ETHYL-trans-2-BUTENOATE NATURAL (ETHYL CROTONATE)
Odor: Rum, Ethereal
Alfrebro
ETHYL-trans-2-BUTENOATE
Odor: Ethereal, Rum
Augustus Oils
Ethyl Crotonate
Services
BOC Sciences
For experimental / research use only.
Ethyl crotonate
Charkit Chemical
ETHYL TRANS-2-BUTENOATE FEMA 3486
ECSA Chemicals
Ethyl Crotonate
Company Profile
Frutarom
ETHYL TRANS-2-BUTENOATE
Odor: Caramel, Rum, Sweet
Use: Suggested Uses: Alcoholic Beverages, Apple, Caramel, Chocolate, Hard Fruits, Passion Fruit, Pineapple, Strawberry
Indukern F&F
ETHYL CROTONATE
Odor: ETHEREAL, POWERFUL, FRUITY
Jiangyin Healthway
Ethyl Crotonate Natural98%
New functional food ingredients
Jiangyin Healthway
Ethyl Crotonate
Kingchem Laboratories
ETHYL CROTONATE (T2 BUTENOATE)
Odor: Sweet, ethereal
Penta International
ETHYL CROTONATE FCC, Kosher
Penta International
ETHYL CROTONATE, NATURAL, Kosher
Reincke & Fichtner
Ethyl trans-2-butenoate
Sigma-Aldrich
Ethyl trans-2-butenoate, ≥96%, FG
Odor: ethereal; wine-like
Certified Food Grade Products
Sigma-Aldrich
Ethyl trans-2-butenoate, natural, ≥97%, FG
Synerzine
Ethyl trans-butenoate
Taytonn
Ethyl Trans-2-Butenoate
Odor: Sweet, Caramellic/ Caramel, Rum
TCI AMERICA
For experimental / research use only.
Ethyl Crotonate >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 11 - Highly flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
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.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 3000 mg/kg
Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.

Dermal Toxicity:
skin-guinea pig LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 19, Pg. 115, 1981.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for ethyl (E)-2-crotonate usage levels up to:
  4.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 12.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 9500 (μg/person/day)
Threshold of Concern:1800 (μg/person/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: 10
 average usual ppmaverage maximum ppm
baked goods: -20.70000
beverages(nonalcoholic): -3.00000
beverages(alcoholic): -4.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: -16.10000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -8.40000
fruit ices: -8.40000
gelatins / puddings: -5.71000
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: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 6.000008.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): -1.00000
Edible ices, including sherbet and sorbet (03.0): 3.000008.00000
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 60.00000100.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 1.200007.00000
Bakery wares (07.0): 2.400006.00000
Meat and meat products, including poultry and game (08.0): 1.000002.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 1.000002.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 20.0000050.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 30.00000100.00000
Ready-to-eat savouries (15.0): 1.0000010.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --
 
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 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

Scientific Opinion on Flavouring Group Evaluation 71: Consideration of aliphatic, linear, alpha,beta-unsaturated carboxylic acids and related esters
View page or View pdf

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

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

Scientific Opinion on Flavouring Group Evaluation 95 (FGE.95): Consideration of aliphatic, linear or branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (69th meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05Rev1 (2008)
View page or View pdf

Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species
View page or View pdf

EPI System: View
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):623-70-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :429065
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1862
WGK Germany:2
ethyl (E)-but-2-enoate
Chemidplus:0000623701
RTECS:GQ3500000 for cas# 623-70-1
 
References:
 ethyl (E)-but-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:623-70-1
Pubchem (cid):429065
Pubchem (sid):134977120
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB39581
Export Tariff Code:2916.19.5000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
alliaceous
dibutyl sulfide
FL/FR
methyl furfuryl disulfide
FL/FR
buttery
acetyl butyryl
FL/FR
caramellic
maltyl propionate
FL/FR
5-
methyl furfural
FL/FR
citrus
bitter
orange peel oil brazil
FL/FR
ethereal
decyl propionate
FL/FR
ethyl formate
FL/FR
fermented
iso
butyl decanoate
FL/FR
hexanal diethyl acetal
FL/FR
3-
methyl-1-pentanol
FL/FR
floral
papaya isobutyrate
FL/FR
fruity
iso
butyl acetoacetate
FL/FR
diethyl laevo-tartrate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl lactate
FL/FR
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
4-
heptanone
FL/FR
sorbyl butyrate
FL/FR
tetrahydrofurfuryl acetate
FL/FR
green
(E)-2-
hexen-1-yl valerate
FL/FR
herbal
6-
acetoxydihydrotheaspirane
FL/FR
anthemis nobilis flower oil roman
FL/FR
clary sage concrete
FL/FR
white
cognac oil
FL/FR
soapy
ethyl undecanoate
FL/FR
spicy
ethyl vinyl ketone
FL/FR
sulfurous
ethyl 2-mercaptopropionate
FL/FR
ethyl methyl mercaptopropionate
FL/FR
grapefruit menthane
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
vanilla
ethyl vanillin isobutyrate
FL/FR
waxy
iso
amyl laurate
FL/FR
ethyl octanoate
FL/FR
winey
butyl angelate
FL/FR
2-
hexanol
FL/FR
For Flavor
No flavor group found for these
6-
acetoxydihydrotheaspirane
FL/FR
2-
amyl-5 or 6-keto-1,4-dioxane
FL
butyl angelate
FL/FR
iso
butyl decanoate
FL/FR
iso
butyraldehyde propylene glycol acetal
FL
decyl propionate
FL/FR
diethyl laevo-tartrate
FL/FR
ethyl aconitate
FL
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
hexanal diethyl acetal
FL/FR
2-
hexanol
FL/FR
alliaceous
alliaceous
allyl disulfide
FL
allyl thiopropionate
FL
cyclopentyl mercaptan
FL
2-
methyl thioacetaldehyde
FL
3-
tetrahydrothiophenone
FL
truffle sulfide
FL
brown
5-
methyl furfural
FL/FR
tetrahydrofurfuryl acetate
FL/FR
burnt
furfuryl alcohol
FL
caramellic
maltyl propionate
FL/FR
coffee
coffee distillates
FL
methyl furfuryl disulfide
FL/FR
creamy
acetyl butyryl
FL/FR
ethereal
ethyl formate
FL/FR
fatty
iso
amyl laurate
FL/FR
fruity
iso
butyl acetoacetate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl lactate
FL/FR
4-
heptanone
FL/FR
bitter
orange peel oil brazil
FL/FR
sorbyl butyrate
FL/FR
fusel
white
cognac oil
FL/FR
green
dibutyl sulfide
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
4-
methyl-2-pentenal
FL
papaya isobutyrate
FL/FR
herbal
anthemis nobilis flower oil roman
FL/FR
clary sage concrete
FL/FR
meaty
(R,S)-2-
mercapto-3-butanol
FL
bis(2-
methyl-3-furyl) disulfide
FL
ortho-
thiocresol
FL
musty
2-
methyl 5-(methyl thio) furan
FL/FR
onion
ethyl 2-mercaptopropionate
FL/FR
methionol
FL
methyl propyl disulfide
FL
methyl propyl trisulfide
FL
propyl thioacetate
FL
seafood
1,4-
dithiane
FL
spicy
ethyl vinyl ketone
FL/FR
sulfurous
allyl sulfide
FL
butyl mercaptan
FL
ethyl methyl mercaptopropionate
FL/FR
S-
ethyl thioacetate
FL
furfuryl thiopropionate
FL
grapefruit menthane
FL/FR
3-
mercapto-2-methyl pentanal
FL
vanilla
ethyl vanillin isobutyrate
FL/FR
waxy
ethyl octanoate
FL/FR
ethyl undecanoate
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
 
Potential Uses:
FRapple
FRbutterscotch
FLcaramel
FLchocolate cocoa
FRcognac
FLgarlic
FRgrape
FLonion
FRpapaya
FRpassion fruit
FRpineapple
FRsaffron
FRstrawberry
 
Occurrence (nature, food, other):note
 apple fruit
Search PMC Picture
 cocoa
Search Trop Picture
 grape concord grape
Search PMC Picture
 guava fruit - up to 1.25 mg/kg
Search Trop Picture
 mussel - .99 mg/kg
Search PMC Picture
 papaya fruit
Search Trop Picture
 passion fruit
Search Trop Picture
 rum
Search PMC Picture
 star fruit oil cuba @ trace%
Data GC Search Trop Picture
 strawberry wild strawberry fruit
Search Trop Picture
 wine
Search Picture
 
Synonyms:
(E)-but-2-enoic acid ethyl ester
trans-but-2-enoic acid ethyl ester
(2E)-2-butenoic acid ethyl ester
(E)-2-butenoic acid ethyl ester
trans-2-butenoic acid ethyl ester
2-butenoic acid, ethyl ester, (2E)-
2-butenoic acid, ethyl ester, (E)-
(E)-crotonic acid ethyl ester
(E)-alpha-crotonic acid ethyl ester
 crotonic acid, ethyl ester, (E)-
 ethyl (2E)-2-butenoate
 ethyl (2E)-but-2-enoate
 ethyl (E)-2-butenoate
 ethyl (E)-but-2-enoate
(E)-ethyl 2-butenoate
 ethyl 2-butenoate, (E)-
 ethyl alpha-crotonate
(E)-ethyl but-2-enoate
 ethyl crotonate FCC
 ethyl crotonate natural
 ethyl trans-2-butenoate
 ethyl trans-crotonate
 ethyl-(2E)-but-2-enoat
 ethyl-trans-2-butenoate
 

Articles:

PubMed:Aroma volatiles recovered in the water phase of cashew apple (Anacardium occidentale L.) juice during concentration.
PubMed:Effects of methanogenic inhibitors on methane production and abundances of methanogens and cellulolytic bacteria in in vitro ruminal cultures.
PubMed:Metabolism of ethyl tiglate in apple fruits leads to the formation of small amounts of (R)-ethyl 2-methylbutanoate.
PubMed:Fluorinated retinoic acids and their analogues. 3. Synthesis and biological activity of aromatic 6-fluoro analogues.
PubMed:[On the specifity and stereospecificity of the conversion of different 2,3-unsaturated acids by Clostridium kluyveri (author's transl)].
 
Notes:
None found
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