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3-phenyl propyl cinnamate
3-phenylpropyl cinnamate

Sponsors

CAS Number: 122-68-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:204-565-6
FDA UNII:F0Q8B0FS94
MDL:MFCD00048269
CoE Number:338
XlogP3:4.90 (est)
Molecular Weight:266.33986000
Formula:C18 H18 O2
NMR Predictor:Predict (works with chrome or firefox)
CAS Number: 290311-72-7Picture of molecule3D/inchi
XlogP3:4.90 (est)
Molecular Weight:266.33986000
Formula:C18 H18 O2
NMR Predictor:Predict (works with chrome or firefox)
CAS Number: 122-68-9 (Z)Picture of molecule3D/inchi
XlogP3:4.90 (est)
Molecular Weight:266.33986000
Formula:C18 H18 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:672 3-phenylpropyl cinnamate
FLAVIS Number:09.745 (Old)
DG SANTE Food Flavourings:09.745 3-phenylpropyl cinnamate
FEMA Number:2894 3-phenylpropyl cinnamate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3-PHENYLPROPYL 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 to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Equivalence Factor for Assay:133.17
Food Chemicals Codex Listed: No
Specific Gravity:1.07400 to 1.07600 @ 25.00 °C.
Pounds per Gallon - (est).: 8.937 to 8.953
Specific Gravity:1.07400 to 1.08000 @ 25.00 °C.
Pounds per Gallon - est.: 8.937 to 8.987
Refractive Index:1.58500 to 1.58700 @ 20.00 °C.
Refractive Index:1.58300 to 1.58800 @ 20.00 °C.
Boiling Point: 300.00 to 301.00 °C. @ 0.00 mm Hg
Boiling Point: 190.00 °C. @ 0.20 mm Hg
Acid Value: 1.00 max. KOH/g
Flash Point: 501.00 °F. TCC ( 260.56 °C. )
logP (o/w): 5.023 (est)
Soluble in:
 alcohol
 benzyl benzoate
 water, 0.9383 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 alpha-acetyl cinnamate
ethyl cinnamate
heptyl cinnamate
(Z)-3-hexen-1-yl cinnamate
hexyl cinnamate
linalyl cinnamate
methyl cinnamate
octyl cinnamate
phenethyl cinnamate
propyl cinnamate
isopropyl cinnamate
terpinyl cinnamate
tetrahydrofurfuryl cinnamate
 
Organoleptic Properties:
Odor Type: balsamic
Odor Strength:medium
Substantivity:400 hour(s) at 100.00 %
sweet balsamic spicy apricot
Odor Description:at 100.00 %. sweet balsam spicy apricot
Luebke, William tgsc, (1988)
Odor sample from: Fritzsche Dodge & Olcott, Inc.
Flavor Type: spicy
sweet spicy cinnamyl balsamic fruity
Taste Description: sweet spicy cinnamyl balsamic 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.
3-Phenylpropyl Cinnamate
Diffusions Aromatiques
3-PHENYLPROPYL CINNAMATE
Ernesto Ventós
3-PHENYLPROPYL CINNAMATE
Odor: HEAVY FLORAL, ROSE, BALSAMIC
Inoue Perfumery
3-PHENYLPROPYL CINNAMATE
Lluch Essence
PHENYL PROPYL CINNAMATE
Parchem
3-phenyl propyl cinnamate
Penta International
3-PHENYLPROPYL CINNAMATE, Kosher
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Phenylpropyl Cinnamate
U. K. Aromatics and Chemicals
PHENYL PROPYL CINNAMATE
Vigon International
Phenyl Propyl Cinnamate
Odor: SWEET AND HEAVY FLORAL ODOR WITH A BALSAMIC CHARACTER
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
 
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.
(Keating, 1972d)

oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 969, 1974.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 969, 1974.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 3-phenyl propyl cinnamate usage levels up to:
  4.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.49 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 37.00 (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: 3
 average usual ppmaverage maximum ppm
baked goods: -5.30000
beverages(nonalcoholic): -3.40000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -4.10000
fruit ices: -4.10000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -4.30000
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
EPA Substance Registry Services (TSCA):122-68-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61051
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3-phenylpropyl 3-phenylprop-2-enoate
Chemidplus:0000122689
3-phenylpropyl (E)-3-phenylprop-2-enoate
3-phenylpropyl (Z)-3-phenylprop-2-enoate
 
References:
 3-phenylpropyl 3-phenylprop-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:122-68-9
Pubchem (cid):61051
Pubchem (sid):135018862
 3-phenylpropyl (E)-3-phenylprop-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:290311-72-7
Pubchem (cid):5320530
Pubchem (sid):39294063
 3-phenylpropyl (Z)-3-phenylprop-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:122-68-9
Pubchem (cid):6435823
Pubchem (sid):74716878
 
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):HMDB36387
FooDB:FDB015265
Export Tariff Code:2916.12.6000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
amber
labdanum oil
FL/FR
balsamic
artemisia annua herb oil bulgaria
FL/FR
sumatra
benzoin absolute
FL/FR
sumatra
benzoin resinoid
FL/FR
benzyl benzoate
FL/FR
benzyl cinnamate
FL/FR
alpha-
bisabolene
FL/FR
iso
butyl benzoate
FL/FR
iso
butyl cinnamate
FL/FR
cinnamyl alcohol
FL/FR
cinnamyl benzoate
FL/FR
cinnamyl butyrate
FL/FR
cinnamyl cinnamate
FL/FR
copaiba balsam oil
FL/FR
ethyl cinnamate
FL/FR
frankincense absolute
FL/FR
(Z)-3-
hexen-1-yl cinnamate
FR
linalyl cinnamate
FL/FR
methyl cinnamate
FL/FR
alpha-
methyl cinnamyl alcohol
FR
myrrh oil CO2 extract
FL/FR
myrrh resinoid
FR
octyl cinnamate
FR
opoponax oil (balsamodendron kafal)
FL/FR
opoponax oil (commiphora erythraea var. glabrescens engle)
FL/FR
opoponax resinoid (balsamodendron kafal)
FR
peru balsam oil
FL/FR
peru balsam resinoid
FL/FR
2-
phenoxyethyl formate
FR
3-
phenyl propyl acetate
FL/FR
3-
phenyl propyl alcohol
FL/FR
black
poplar bud oleoresin
FL/FR
tetrahydrofurfuryl cinnamate
FL/FR
tolu balsam oil
FL/FR
annus
wormwood oil france
FL/FR
caramellic
mesitene lactone
FR
citrus
alpha-
terpinyl methyl ether
FL/FR
earthy
pinus sylvestris leaf absolute
FL/FR
fermented
iso
butyl decanoate
FL/FR
floral
benzyl acetate
FL/FR
benzyl alcohol
FL/FR
butyl nonanoate
FL/FR
citronellyl acetone
FL/FR
citronellyl formate
FL/FR
cyclohexyl salicylate
FR
dihydrogeranyl linalool
FR
floral undecenone
FR
geranyl isobutyrate
FL/FR
heptyl propionate
FL/FR
beta-
ionol
FL/FR
jasmin lactone (IFF)
FL/FR
phenethyl heptanoate
FL/FR
phenethyl isovalerate
FL/FR
phenethyl salicylate
FL/FR
1-
phenyl propyl alcohol
FL/FR
1-
phenyl propyl butyrate
FL/FR
3-
phenyl propyl propionate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
(Z,E)-
phytol
FL/FR
tuberose absolute (from pommade)
FL/FR
fruity
allyl cinnamate
FL/FR
allyl propionate
FL/FR
iso
amyl butyrate
FL/FR
iso
amyl isobutyrate
FL/FR
amyl isobutyrate
FL/FR
iso
amyl nonanoate
FL/FR
amyl propionate
FL/FR
apricot isobutyrate
FR
benzyl butyrate
FL/FR
benzyl heptanoate
FL/FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
2-
butanol
FL/FR
butyl 2-decenoate
FL/FR
cyclohexyl crotonate
FR
decen-1-yl cyclopentanone
FL/FR
dihydroactinidolide
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
(R)-delta-
dodecalactone
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
fruity cyclopentanone
FR
heptyl isobutyrate
FL/FR
linalyl valerate
FL/FR
peach cyclopentanone
FR
2-
phenyl propyl butyrate
FL/FR
propyl butyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
para-
tolualdehyde
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
xanthoxylum fruit oil
FR
green
benzyl hexanoate
FL/FR
heptyl acetate
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
herbal
linalyl isovalerate
FL/FR
honey
methyl hydrocinnamate
FL/FR
propyl phenyl acetate
FL/FR
minty
ethyl salicylate
FL/FR
spicy
amyl isoeugenol
FR
bay leaf oil terpeneless
FL/FR
benzyl isoeugenol
FL/FR
iso
butyl angelate
FL/FR
cinnamyl acetate
FL/FR
(Z)-
cinnamyl acetate
FL/FR
clove bud oleoresin
FL/FR
4-
ethyl guaiacol
FL/FR
iso
eugenol
FL/FR
eugenol
FL/FR
iso
eugenyl acetate
FL/FR
eugenyl benzoate
FL/FR
iso
eugenyl phenyl acetate
FL/FR
mace oil CO2 extract
FL/FR
alpha-
methyl cinnamaldehyde
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
terpenic
cypress leaf oil
FR
tobacco
honey absolute
FL/FR
tonka
dihydrocoumarin replacer
FR
tonka undecanone
FR
vanilla
vanillylidene acetone
FL/FR
waxy
ethyl octanoate
FL/FR
woody
agarwood specialty
FR
bruyere root absolute
FR
guaiacwood oil 20% in gurjun balsam oil
FR
kaempferia galanga rhizome oil
FL/FR
2-
methoxy-4-vinyl phenol
FL/FR
sandal cyclopropane
FL/FR
woody octene
FR
For Flavor
No flavor group found for these
allyl cinnamate
FL/FR
allyl cyclohexyl valerate
FL
amyl isobutyrate
FL/FR
amyl propionate
FL/FR
artemisia annua herb oil bulgaria
FL/FR
benzyl heptanoate
FL/FR
benzyl hexanoate
FL/FR
alpha-
bisabolene
FL/FR
2-
butanol
FL/FR
iso
butyl decanoate
FL/FR
butyl nonanoate
FL/FR
(Z)-
cinnamyl acetate
FL/FR
cinnamyl benzoate
FL/FR
citronellyl acetone
FL/FR
dihydroactinidolide
FL/FR
(R)-delta-
dodecalactone
FL/FR
eugenyl benzoate
FL/FR
jasmin lactone (IFF)
FL/FR
linalyl valerate
FL/FR
methyl furfuracrylate
FL
methyl hydrocinnamate
FL/FR
phenethyl heptanoate
FL/FR
1-
phenyl propyl butyrate
FL/FR
3-
phenyl propyl propionate
FL/FR
pinus sylvestris leaf absolute
FL/FR
black
poplar bud oleoresin
FL/FR
tetrahydrofurfuryl cinnamate
FL/FR
annus
wormwood oil france
FL/FR
alliaceous
alliaceous
allyl propionate
FL/FR
amber
labdanum oil
FL/FR
sandal cyclopropane
FL/FR
balsamic
sumatra
benzoin resinoid
FL/FR
benzyl benzoate
FL/FR
iso
butyl cinnamate
FL/FR
copaiba balsam oil
FL/FR
ethyl cinnamate
FL/FR
myrrh oil CO2 extract
FL/FR
opoponax oil (balsamodendron kafal)
FL/FR
opoponax oil (commiphora erythraea var. glabrescens engle)
FL/FR
peru balsam oil
FL/FR
peru balsam resinoid
FL/FR
3-
phenyl propyl acetate
FL/FR
1-
phenyl propyl alcohol
FL/FR
(Z,E)-
phytol
FL/FR
tolu balsam oil
FL/FR
vanillylidene acetone
FL/FR
berry
heptyl isobutyrate
FL/FR
camphoreous
kaempferia galanga rhizome oil
FL/FR
creamy
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
fatty
(Z)-3-
hexen-1-yl benzoate
FL/FR
floral
geranyl isobutyrate
FL/FR
beta-
ionol
FL/FR
tuberose absolute (from pommade)
FL/FR
fruity
iso
amyl isobutyrate
FL/FR
benzyl acetate
FL/FR
benzyl alcohol
FL/FR
benzyl butyrate
FL/FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
butyl 2-decenoate
FL/FR
iso
butyl benzoate
FL/FR
citronellyl formate
FL/FR
decen-1-yl cyclopentanone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
2-
furyl pentyl ketone
FL
heptyl propionate
FL/FR
linalyl cinnamate
FL/FR
linalyl isovalerate
FL/FR
phenethyl isovalerate
FL/FR
(E)-
propyl 2-furan acrylate
FL/FR
propyl butyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
green
iso
butyl angelate
FL/FR
cinnamyl alcohol
FL/FR
heptyl acetate
FL/FR
honey
honey absolute
FL/FR
propyl phenyl acetate
FL/FR
medicinal
frankincense absolute
FL/FR
phenethyl salicylate
FL/FR
minty
ethyl salicylate
FL/FR
nutty
furfural acetone
FL
smoky
2-
methoxy-4-vinyl phenol
FL/FR
spicy
bay leaf oil terpeneless
FL/FR
sumatra
benzoin absolute
FL/FR
benzyl cinnamate
FL/FR
benzyl isoeugenol
FL/FR
benzylidene acetone
FL
cinnamyl acetate
FL/FR
cinnamyl cinnamate
FL/FR
clove bud oleoresin
FL/FR
eugenol
FL/FR
iso
eugenol
FL/FR
iso
eugenyl acetate
FL/FR
iso
eugenyl phenyl acetate
FL/FR
galangal root oleoresin
FL
mace oil CO2 extract
FL/FR
alpha-
methyl cinnamaldehyde
FL/FR
methyl cinnamate
FL/FR
nutmeg absolute
FL/FR
nutmeg oil CO2 extract
FL/FR
3-
phenyl propyl alcohol
FL/FR
2-
phenyl propyl butyrate
FL/FR
spicy acetoacetate
FL/FR
para-
tolualdehyde
FL/FR
annus
wormwood oil vietnam
FL/FR
waxy
iso
amyl butyrate
FL/FR
ethyl octanoate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
winey
iso
amyl nonanoate
FL/FR
cinnamyl butyrate
FL/FR
woody
4-
ethyl guaiacol
FL/FR
alpha-
terpinyl methyl ether
FL/FR
 
Potential Uses:
FRacacia
FRapricot
FRbalsam
FL/FRbenzoin absolute replacer
 chocolate cocoa
FReglantine
 fixer
FRfloral
FRgeranium
FRmimosa
FRorris
FRpatchouli
FRperu balsam
FRreseda
FRrose
FRstephanotis
FRviolet
 
Occurrence (nature, food, other):note
 benzoin sumatra
Search PMC Picture
 peru balsam
Search Trop Picture
 styrax
Search Picture
 
Synonyms:
 cinnamic acid 3-phenyl propyl ester
 hydrocinnamyl 3-phenyl propenoate
 hydrocinnamyl 3-phenylpropenoate
 hydrocinnamyl cinnamate
3-phenyl propyl 3-phenyl propenoate
3-phenyl propyl 3-phenyl-2-propenoate
3-phenyl propyl beta-phenyl acrylate
 phenyl propyl cinnamate
3-phenyl propyl cinnamate
beta-phenyl propyl cinnamate
3-phenyl-2-propenoic acid 3-phenyl propyl ester
3-phenylpropyl 3-phenyl-2-propenoate
3-phenylpropyl 3-phenylacrylate
3-phenylpropyl 3-phenylprop-2-enoate
3-phenylpropyl 3-phenylpropenoate
3-phenylpropyl cinnamate
2-propenoic acid, 3-phenyl-, 3-phenylpropyl ester
 
 
Notes:
Flavouring ingredient
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