EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

ethyl alpha-acetyl cinnamate
ethyl 2-benzylidene-3-oxobutanoate

Supplier Sponsors

CAS Number: 620-80-4Picture of molecule3D/inchi
FDA UNII:7GF90UOL9N
Beilstein Number:2213980
XlogP3:2.20 (est)
Molecular Weight:218.25218000
Formula:C13 H14 O3
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:(E)-ethyl alpha-acetyl cinnamate
 (Z)-ethyl alpha-acetyl cinnamate
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:2211 ethyl .alpha.-acetylcinnamate
FEMA Number:4597 ethyl alpha-acetylcinnamate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):620-80-4 ; ETHYL ALPHA-ACETYLCINNAMATE
 
Physical Properties:
Appearance:white powder (est)
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Melting Point: 60.50 °C. @ 760.00 mm Hg
Boiling Point: 293.00 to 294.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 233.00 °F. TCC ( 111.67 °C. )
logP (o/w): 2.210
Soluble in:
 alcohol
 water, 455.8 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl cinnamate
amyl cinnamate
isoamyl cinnamate
benzyl cinnamate
butyl cinnamate
isobutyl cinnamate
cinnamyl cinnamate
citronellyl cinnamate
cyclohexyl cinnamate
ethyl cinnamate
heptyl cinnamate
(Z)-3-hexen-1-yl cinnamate
hexyl cinnamate
linalyl cinnamate
methyl cinnamate
octyl cinnamate
phenethyl cinnamate
3-phenyl propyl cinnamate
propyl cinnamate
isopropyl cinnamate
terpinyl cinnamate
tetrahydrofurfuryl cinnamate
 
Organoleptic Properties:
Odor Type: balsamic
Odor Strength:medium
balsamic tropical fruity fruit tropical fruit
Odor Description:at 100.00 %. balsamic aroma with tropical fruit notes
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Ethyl .alpha.-acetylcinnamate
BOC Sciences
For experimental / research use only.
Ethyl 2-benzylideneacetoacetate
Carbosynth
For experimental / research use only.
2-Acetyl-3-phenylacrylic acid ethyl ester
Inoue Perfumery
ETHYL 2-ACETYL CINNAMATE
Penta International
ETHYL ALPHA-ACETYLCINNAMATE
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
 
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: 24
Click here to view publication 24
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.100000.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 0.800002.00000
condiments / relishes: --
confectionery froastings: 0.030000.10000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
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:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :249817
National Institute of Allergy and Infectious Diseases:Data
ethyl 2-benzylidene-3-oxobutanoate
Chemidplus:0000620804
 
References:
 ethyl 2-benzylidene-3-oxobutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):249817
Pubchem (sid):30048126
 
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):Search
ChemSpider:View
 
Potential Blenders and core components note
For Odor
balsamic
iso
propyl cinnamate
FL/FR
berry
berry fragrance
FR
blueberry fragrance
FR
blueberry specialty
FR
caramellic
strawberry furanone acetate
FL/FR
citrus
grapefruit specialty
FR
ethereal
iso
propyl formate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
floral
acetal 318
FR
para-
anisyl butyrate
FL/FR
blue lagoon fragrance
FR
cassis specialty
FR
black
currant bud concrete
FL/FR
damascate
FR
ethyl linalyl acetate
FR
iso
eugenyl ethyl acetal
FR
frangipani specialty
FR
hibiscus fragrance
FR
beta-
ionol
FL/FR
alpha-
ionone
FL/FR
iris specialty
FR
phenethyl acetate
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
rose butanoate
FL/FR
styralyl isobutyrate
FL/FR
fruity
allyl cyclohexyl propionate
FL/FR
almond specialty
FR
apple pear fragrance
FR
apricot peach fragrance
FR
apricot specialty
FR
iso
butyl isobutyrate
FL/FR
wild
cherry fragrance
FR
ethyl (Z)-4-heptenoate
FL/FR
fruit fragrance
FR
heptyl butyrate
FL/FR
lychee fragrance
FR
methyl cyclohexyl acetate
FR
neocaspirene
FL/FR
papaya fragrance
FR
papaya specialty
FR
passion fruit fragrance
FR
passion fruit specialty
FR
peach cyclopentanone
FR
strawberry furanone butyrate
FL/FR
tropical fruit specialty
FR
tropical thiazole
FL/FR
green
ethyl (E,Z)-2,4-decadienoate
FL/FR
galbanum specialty
FR
heptanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
hexen-1-yl oxypropane nitrile
FR
hexyl hexanoate
FL/FR
1-
penten-3-ol
FL/FR
phenoxyethyl isobutyrate
FL/FR
herbal
(E)-6-
methyl-3-hepten-2-one
FL/FR
viridiflorol
FL/FR
melon
honeydew fragrance
FR
spicy
bubble gum fragrance
FR
spicy acetoacetate
FL/FR
sulfurous
buchu mercaptan
FL/FR
lychee mercaptan acetate
FL/FR
passiflora acetate
FL/FR
3-
thiohexanol
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
4-
tropical oxathiane
FL/FR
tropical
cis-
galbanum oxathiane
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
3-
nonen-4-olide
FL/FR
passiflora edulis fruit extract
FL/FR
passiflora edulis fruit water
FL/FR
pina colada fragrance
FR
triflaige A (ZEON)
FR
tropical 3-thiobutyrate
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
S-(2,5-
dimethyl-3-furyl) ethane thioate
FL
ethyl 2-(methyl thio) acetate
FL
ethyl 3-octenoate
FL
methyl 2-(methyl thio) acetate
FL
(E)-6-
methyl-3-hepten-2-one
FL/FR
neocaspirene
FL/FR
3-
nonen-4-olide
FL/FR
S-
prenyl thioisobutyrate
FL
S-
prenyl thioisovalerate
FL
sorbyl propionate
FL
styralyl isobutyrate
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
viridiflorol
FL/FR
allyl thiohexanoate
FL
alliaceous
alliaceous
tropical thiazole
FL/FR
anisic
para-
anisyl butyrate
FL/FR
balsamic
iso
propyl cinnamate
FL/FR
caramellic
strawberry furanone acetate
FL/FR
cheesy
methyl ketones
FL
creamy
triacetin
FL
floral
beta-
ionol
FL/FR
alpha-
ionone
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
fruity
allyl cyclohexyl propionate
FL/FR
iso
butyl isobutyrate
FL/FR
black
currant bud concrete
FL/FR
ethyl (Z)-4-heptenoate
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
hexyl hexanoate
FL/FR
3-
mercaptohexyl hexanoate
FL
passion fruit distillates
FL
iso
propyl formate
FL/FR
rose butanoate
FL/FR
strawberry furanone butyrate
FL/FR
4-
tropical oxathiane
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
green
ethyl (E,Z)-2,4-decadienoate
FL/FR
cis-
galbanum oxathiane
FL/FR
heptanal dimethyl acetal
FL/FR
heptyl butyrate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
1-
penten-3-ol
FL/FR
phenoxyethyl isobutyrate
FL/FR
herbal
buchu oil fractions
FL
honey
phenethyl acetate
FL/FR
juicy
lychee mercaptan acetate
FL/FR
spicy
spicy acetoacetate
FL/FR
sulfurous
buchu mercaptan
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
3-
thiohexanol
FL/FR
tropical 3-thiobutyrate
FL/FR
tropical
anacardium occidentale fruit puree
FL
3-
mercaptohexyl butyrate
FL
passiflora acetate
FL/FR
passiflora edulis fruit extract
FL/FR
passiflora edulis fruit water
FL/FR
vegetable
2-
octen-4-one
FL/FR
 
Potential Uses:
 confectionery frostings
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 butanoic acid, 3-oxo-2-(phenylmethylene)-, ethyl ester
 ethyl .alpha.-acetylcinnamate
 ethyl 2-acetyl cinnamate
 ethyl 2-acetylcinnamate
 ethyl 2-benzylidene acetoacetate
 ethyl 2-benzylidene-3-oxobutanoate
 ethyl 2-benzylideneacetoacetate
 ethyl 3-oxo-2-(phenylmethylidene)butanoate
 ethyl alpha-acetylcinnamate
 ethyl-2-benzylidene-3-oxobutanoate
(1S,2R)-1-phenyl-2-pyrrolidin-1-yl-propan-1-ol
 

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