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

butyl cinnamate
cinnamic acid butyl ester

Supplier Sponsors

Name:butyl 3-phenylprop-2-enoate
CAS Number: 538-65-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:208-699-6
FDA UNII:05Q793M6Z5
Nikkaji Web:J106.761C
MDL:MFCD00051560
CoE Number:326
XlogP3:3.90 (est)
Molecular Weight:204.26892000
Formula:C13 H16 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Name:butyl (E)-3-phenylprop-2-enoate
CAS Number: 52392-64-0Picture of molecule3D/inchi
Nikkaji Web:J184.150E
XlogP3:3.90 (est)
Molecular Weight:204.26892000
Formula:C13 H16 O2
NMR Predictor:Predict (works with chrome or firefox)
Name:butyl (Z)-3-phenylprop-2-enoate
CAS Number: 538-65-8 (Z)Picture of molecule3D/inchi
Nikkaji Web:J1.495.274H
XlogP3:3.90 (est)
Molecular Weight:204.26892000
Formula:C13 H16 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
JECFA Food Flavoring:663 butyl cinnamate
FLAVIS Number:09.733 (Old)
DG SANTE Food Flavourings:09.733 butyl cinnamate
FEMA Number:2192 butyl cinnamate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: BUTYL CINNAMATE
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 clear oily liquid (est)
Assay: 98.00 to 100.00 sum of isomers
Equivalence Factor for Assay:102.14
Food Chemicals Codex Listed: No
Specific Gravity:1.00700 to 1.01300 @ 20.00 °C.
Pounds per Gallon - (est).: 8.389 to 8.439
Refractive Index:1.54100 to 1.54600 @ 20.00 °C.
Refractive Index:1.53900 to 1.54500 @ 20.00 °C.
Boiling Point: 145.00 °C. @ 13.00 mm Hg
Boiling Point: 279.00 to 281.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.549000 mm/Hg @ 25.00 °C.
Vapor Density:7.0 ( Air = 1 )
Flash Point:> 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 3.830
Soluble in:
 alcohol
 water, 5000 mg/L @ 25 °C (exp)
Insoluble in:
 water
Similar Items:note
allyl cinnamate
amyl cinnamate
isoamyl cinnamate
benzyl cinnamate
isobutyl cinnamate
cinnamyl cinnamate
citronellyl cinnamate
cyclohexyl cinnamate
ethyl alpha-acetyl 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
sweet balsamic cocoa spicy fruity
Odor Description:at 100.00 %. sweet balsam cocoa spicy fruity
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.
Butyl Cinnamate
M&U International
BUTYL CINNAMATE, Kosher
Parchem
Butyl Cinnamate
Penta International
BUTYL CINNAMATE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
Butyl Cinnamate
Sigma-Aldrich: Aldrich
For experimental / research use only.
N-Butyl Cinnamate
Synerzine
Butyl Cinnamate
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
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.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
One group of 10 animals received 5000 mg/kg, mortality 0/10, only summary available.
(Moreno, 1977r)

oral-mouse LD50 7000 mg/kg
Annales Pharmaceutiques Francaises. Vol. 14, Pg. 370, 1956.

oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 18, Pg. 655, 1980.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 18, Pg. 655, 1980.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
maximum skin levels for fine fragrances:
  0.1000 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey). (IFRA, 2001)
Recommendation for butyl cinnamate usage levels up to:
  8.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics:
  0.5000 %
Dermal Systemic Exposure in Cosmetic Products:
 0.0127 mg/kg/day (IFRA, 2001)
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.37 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.20 (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: 3
 average usual ppmaverage maximum ppm
baked goods: 1.0000015.00000
beverages(nonalcoholic): -0.83000
beverages(alcoholic): -2.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.60000
fruit ices: -2.60000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 1.0000015.00000
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:
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 15 (FGE.15): Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 15, Revision 1 (FGE.15Rev1) - Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 - 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 68 (FGE.68): Consideration of cinnamyl alcohol and related flavouring agents evaluated by JECFA (55th meeting) evaluated by EFSA in FGE.15Rev1 (2008)
View page or View pdf

EPI System: View
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):538-65-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10861
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
butyl 3-phenylprop-2-enoate
RTECS:GD8425000 for cas# 538-65-8
butyl (E)-3-phenylprop-2-enoate
Chemidplus:0000538658
butyl (Z)-3-phenylprop-2-enoate
 
References:
 butyl 3-phenylprop-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:538-65-8
Pubchem (cid):10861
Pubchem (sid):29279231
 butyl (E)-3-phenylprop-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:52392-64-0
Pubchem (cid):5273465
Pubchem (sid):154166
 butyl (Z)-3-phenylprop-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:538-65-8
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB37702
FooDB:FDB016830
Export Tariff Code:2916.12.6000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
arnica montana flower extract
FL/FR
anisic
anisic
ethyl para-anisate
FL/FR
3-
pentyl bicyclo[3.2.1]-6-octen-2-one
FR
balsamic
2-
acetyl furan
FL/FR
iso
amyl cinnamate
FL/FR
amyl cinnamate
FL/FR
amyl phenyl acetate
FL/FR
sumatra
benzoin absolute
FL/FR
sumatra
benzoin resinoid
FL/FR
alpha-
bisabolene
FL/FR
butyl benzoate
FL/FR
iso
butyl cinnamate
FL/FR
cinnamyl benzoate
FL/FR
(E)-
cinnamyl butyrate
FL/FR
cinnamyl butyrate
FL/FR
cinnamyl formate
FL/FR
copaiba balsam oil
FL/FR
ethyl cinnamate
FL/FR
frankincense absolute
FL/FR
hexyl cinnamate
FR
myrrh resinoid
FR
octyl benzoate
FR
opoponax oil (balsamodendron kafal)
FL/FR
opoponax resinoid (balsamodendron kafal)
FR
phenyl salicylate
FR
prenyl benzoate
FL/FR
terpinyl butyrate
FL/FR
tolu balsam oil
FL/FR
annus
wormwood oil france
FL/FR
caramellic
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
fenugreek oleoresin
FL/FR
cheesy
2-
heptanone
FL/FR
chocolate
iso
amyl phenyl acetate
FL/FR
chocolate pyrazine A
FL/FR
cocoa hexenal
FL/FR
cocoa oleoresin
FL/FR
cocoa pentenal
FL/FR
2,5-
dimethyl pyrazine
FL/FR
2,6-
dimethyl pyrazine
FL/FR
2-
methoxypyrazine
FL/FR
2-
methyl butyraldehyde
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
cocoa
2-iso
butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR
coconut
tetrahydrojasmone
FR
earthy
octyl phenyl acetate
FL/FR
pinus sylvestris leaf absolute
FL/FR
ethereal
iso
propyl formate
FL/FR
fermented
3-
methyl-1-pentanol
FL/FR
valeraldehyde
FL/FR
floral
alpha-
amyl cinnamyl acetate
FL/FR
benzyl acetone
FL/FR
benzyl formate
FL/FR
bois de rose oil brazil
FL/FR
coranol (Firmenich)
FR
dihydrolinalool
FL/FR
3,6-
dimethyl-3-octanol
FL/FR
ethyl linalool
FR
ethyl linalyl acetal
FR
ethyl linalyl acetate
FR
ethyl linalyl ether
FL/FR
ethyl phenyl acetate
FL/FR
2-
hexylidene cyclopentanone
FL/FR
ho leaf oil
FR
ho wood oil
FR
linalool
FL/FR
dextro-
linalool
FL/FR
laevo-
linalool
FL/FR
linalool oxide
FL/FR
linalyl anthranilate
FL/FR
rhodinyl isobutyrate
FL/FR
rose carboxylate
FR
souroubea specialty
FR
tetrahydrolinalool
FL/FR
ylang ylang flower oil III
FL/FR
fruity
para-
anisyl methyl ketone
FL/FR
1,4-
diethyl-6,8-dioxabicyclo(3.2.1)octane
FR
3-
phenyl propyl isobutyrate
FL/FR
strawberry furanone butyrate
FL/FR
xanthoxylum fruit oil
FR
green
butyl 2-methyl butyrate
FL/FR
octanal diethyl acetal
FL/FR
phenyl acetaldehyde
FL/FR
thuja occidentalis leaf absolute
FR
herbal
dimethyl benzyl carbinyl crotonate
FL/FR
lavender absolute bulgaria
FL/FR
myrtle oil
FL/FR
myrtle oil morocco
FL/FR
nonisyl acetate
FR
gamma-
valerolactone
FL/FR
honey
methyl phenyl acetate
FL/FR
milky
laevo-
glutamine
CS
minty
ethyl salicylate
FL/FR
musty
cocoa butenal
FL/FR
nutty
3,6-
cocoa pyrazine
FL/FR
2,6-
lutidine
FL/FR
2-
methyl pyrazine
FL/FR
2,3,5,6-
tetramethyl pyrazine
FL/FR
2,3,5-
trimethyl pyrazine
FL/FR
vinyl sulfurol
FL/FR
roasted
fenugreek resinoid
FL/FR
spicy
alpha-
amyl cinnamyl alcohol
FL/FR
bay leaf oil terpeneless
FL/FR
benzyl isoeugenol
FL/FR
cinnamyl acetate
FL/FR
(E)-
cinnamyl acetate
FL/FR
cinnamyl propionate
FL/FR
cubeb oil
FL/FR
2,5-
dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate
FR
eugenyl isovalerate
FL/FR
mace oil CO2 extract
FL/FR
myrcene
FR
nutmeg absolute
FL/FR
nutmeg oil CO2 extract
FL/FR
(E)-
propyl 2-furan acrylate
FL/FR
spicy acetoacetate
FL/FR
annus
wormwood oil vietnam
FL/FR
tonka
tonka undecanone
FR
waxy
phenethyl octanoate
FL/FR
woody
beta-
caryophyllene alcohol acetate
FL/FR
kaempferia galanga rhizome oil
FL/FR
santalyl butyrate
FL/FR
spicy pentanone
FL/FR
vetiver oil fractions
FR
woody octene
FR
For Flavor
No flavor group found for these
amyl phenyl acetate
FL/FR
arnica montana flower extract
FL/FR
benzyl methyl tiglate
FL
alpha-
bisabolene
FL/FR
butyl 2-methyl butyrate
FL/FR
butyl benzoate
FL/FR
2-iso
butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR
2(4)-iso
butyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
FL
beta-
caryophyllene alcohol acetate
FL/FR
chocolate pyrazine A
FL/FR
chocolate pyrazine B
FL
(E)-
cinnamyl acetate
FL/FR
cinnamyl benzoate
FL/FR
(E)-
cinnamyl butyrate
FL/FR
dimethyl benzyl carbinyl crotonate
FL/FR
4,5-
dimethyl-2-ethyl thiazole
FL
ethyl linalyl ether
FL/FR
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
eugenyl isovalerate
FL/FR
2-
hexylidene cyclopentanone
FL/FR
dextro-
linalool
FL/FR
2-
methoxypyrazine
FL/FR
myrtle oil morocco
FL/FR
octyl phenyl acetate
FL/FR
peanut dithiazine
FL
pinus sylvestris leaf absolute
FL/FR
prenyl benzoate
FL/FR
santalyl butyrate
FL/FR
terpinyl butyrate
FL/FR
annus
wormwood oil france
FL/FR
hexyl 3-mercaptobutanoate
FL
anise
anise
ethyl para-anisate
FL/FR
balsamic
amyl cinnamate
FL/FR
sumatra
benzoin resinoid
FL/FR
iso
butyl cinnamate
FL/FR
copaiba balsam oil
FL/FR
ethyl cinnamate
FL/FR
opoponax oil (balsamodendron kafal)
FL/FR
tolu balsam oil
FL/FR
bitter
methyl ethoxypyrazine
FL
brown
fenugreek oleoresin
FL/FR
camphoreous
kaempferia galanga rhizome oil
FL/FR
caramellic
5-
ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
FL
fenugreek resinoid
FL/FR
cheesy
2-
heptanone
FL/FR
chocolate
cocoa oleoresin
FL/FR
cocoa propanal
FL
citrus
linalool
FL/FR
laevo-
linalool
FL/FR
cocoa
butyraldehyde
FL
cocoa hexenal
FL/FR
creamy
2,4-
heptadienal
FL
earthy
alpha-
amyl cinnamyl acetate
FL/FR
fatty
2,4-
undecadienal
FL
floral
iso
amyl cinnamate
FL/FR
iso
amyl phenyl acetate
FL/FR
bois de rose oil brazil
FL/FR
cinnamyl propionate
FL/FR
cocoa pentenal
FL/FR
dihydrolinalool
FL/FR
linalyl anthranilate
FL/FR
methyl phenyl acetate
FL/FR
rhodinyl isobutyrate
FL/FR
tetrahydrolinalool
FL/FR
ylang ylang flower oil III
FL/FR
fruity
benzyl acetone
FL/FR
benzyl formate
FL/FR
phenethyl octanoate
FL/FR
3-
phenyl propyl isobutyrate
FL/FR
(E)-
propyl 2-furan acrylate
FL/FR
iso
propyl formate
FL/FR
spicy pentanone
FL/FR
strawberry furanone butyrate
FL/FR
fusel
2-
methyl butyraldehyde
FL/FR
green
cocoa butenal
FL/FR
2-
ethyl butyraldehyde
FL
linalool oxide
FL/FR
octanal diethyl acetal
FL/FR
herbal
3,6-
dimethyl-3-octanol
FL/FR
lavender absolute bulgaria
FL/FR
honey
ethyl phenyl acetate
FL/FR
phenyl acetaldehyde
FL/FR
medicinal
frankincense absolute
FL/FR
minty
ethyl salicylate
FL/FR
musty
2,5-
dimethyl pyrazine
FL/FR
propionaldehyde
FL
2,3,5-
trimethyl pyrazine
FL/FR
nutty
2-
acetyl furan
FL/FR
3,6-
cocoa pyrazine
FL/FR
2,6-
dimethyl pyrazine
FL/FR
2,4-
dimethyl-5-vinyl thiazole
FL
furfural acetone
FL
2,6-
lutidine
FL/FR
2-
methyl pyrazine
FL/FR
2,3,5,6-
tetramethyl pyrazine
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
vinyl sulfurol
FL/FR
spicy
alpha-
amyl cinnamyl alcohol
FL/FR
para-
anisyl methyl ketone
FL/FR
bay leaf oil terpeneless
FL/FR
sumatra
benzoin absolute
FL/FR
benzyl isoeugenol
FL/FR
cinnamyl acetate
FL/FR
cinnamyl formate
FL/FR
cubeb oil
FL/FR
galangal root oleoresin
FL
mace oil CO2 extract
FL/FR
myrtle oil
FL/FR
nutmeg absolute
FL/FR
nutmeg oil CO2 extract
FL/FR
spicy acetoacetate
FL/FR
annus
wormwood oil vietnam
FL/FR
tonka
gamma-
valerolactone
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
winey
cinnamyl butyrate
FL/FR
valeraldehyde
FL/FR
 
Potential Uses:
FRbalsam
 chocolate cocoa
FRfruit
FRpeach
FRspice
FRstrawberry
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 butyl 3-phenyl propenoate
 butyl 3-phenyl-2-propenoate
 butyl 3-phenylprop-2-enoate
 butyl 3-phenylpropenoate
 butyl beta-phenyl acrylate
N-butyl cinnamate
N-butyl phenyl acrylate
 cinnamic acid butyl ester
 cinnamic acid N-butyl ester
3-phenyl-2-propenoic acid butyl ester
 

Articles:

PubMed:Synthesis of aliphatic esters of cinnamic acid as potential lipophilic antioxidants catalyzed by lipase B from Candida antarctica.
PubMed:Syntheses and evaluation of the antioxidant activity of novel methoxypsoralen derivatives.
PubMed:N-heterocycle carbene (NHC)-ligated cyclopalladated N,N-dimethylbenzylamine: a highly active, practical and versatile catalyst for the Heck-Mizoroki reaction.
PubMed:A new diastereoselective aza-allyl conjugate addition-Michael addition-ring closure reaction sequence and its application in the construction of six contiguous stereogenic centres.
PubMed:Fragrance material review on butyl cinnamate.
PubMed:Critical behavior of the isotropic-smectic-A transition in p-decyloxy-benzylidene-p-amino-2-methyl-butyl-cinnamate studied by the nonlinear dielectric effect method.
PubMed:Polarization and tilt-angle measurements near the smectic-A-chiral-smectic-C transition of p-(n-decyloxybenzylidene)-p-amino-(2-methyl-butyl)cinnamate (DOBAMBC).
PubMed:[Treatment of oxyuriasis by N-butyl cinnamate].
PubMed:[Research on the anthelmintic properties of various derivatives of the cinnamic series. II. Pharmacological study of n-butyl cinnamate].
 
Notes:
Flavouring ingredient
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