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3-phenyl propyl propionate
3-phenylpropyl propionate

Sponsors

Name:3-phenylpropyl propanoate
CAS Number: 122-74-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:204-571-9
FDA UNII:C4756E9F55
Nikkaji Web:J69.784B
Beilstein Number:3272005
MDL:MFCD00027011
CoE Number:419
XlogP3:3.00 (est)
Molecular Weight:192.25792000
Formula:C12 H16 O2
BioActivity Summary:listing
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:639 3-phenylpropyl propionate
FLAVIS Number:09.138 (Old)
DG SANTE Food Flavourings:09.138 3-phenylpropyl propionate
FEMA Number:2897 3-phenylpropyl propionate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3-PHENYLPROPYL PROPIONATE
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 liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.99600 to 1.00400 @ 20.00 °C.
Pounds per Gallon - est.: 8.297 to 8.364
Boiling Point: 279.00 to 280.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.004000 mm/Hg @ 25.00 °C. (est)
Flash Point:> 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 3.356 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 44.15 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl propionate
allyl thiopropionate
amyl propionate
isoamyl propionate
para-anisyl propionate
benzyl propionate
bornyl propionate
isobornyl propionate
butyl propionate
isobutyl propionate
tert-butyl propionate
carvyl propionate
cinnamyl propionate
citronellyl propionate
para-cresyl propionate
cyclohexyl propionate
cyclotene propionate
decyl propionate
dewy propionate
dicyclopentadiene propionate
dimethyl benzyl carbinyl propionate
dodecyl propionate
ethyl propionate
eugenyl propionate
furfuryl propionate
furfuryl thiopropionate
geranyl propionate
guaiacyl propionate
heptyl propionate
(E)-2-hexen-1-yl propionate
(Z)-3-hexen-1-yl propionate
hexyl propionate
linalyl propionate
maltyl propionate
menthyl propionate
laevo-menthyl propionate
2-methyl butyl propionate
methyl propionate
nerolidyl propionate
neryl propionate
nonisyl propionate
nonyl propionate
(Z)-3-octen-1-yl propionate
(Z)-5-octen-1-yl propionate
octyl propionate
phenethyl propionate
phenoxyethyl propionate
propyl propionate
isopropyl propionate
rhodinyl propionate
sorbyl propionate
styralyl propionate
sulfuryl propionate
terpinyl propionate
tetrahydrofurfuryl propionate
tricyclodecenyl propionate
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
floral balsamic hyacinth mimosa fruity
Odor Description:at 100.00 %. floral balsam hyacinth mimosa
Luebke, William tgsc, (1990)
Odor sample from: International Flavors & Fragrances Inc.
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Alfrebro
3-PHENYL PROPYL PROPIONATE NATURAL
Odor: Floral, Balsamic, Sweet, Fruity
Apiscent Labs
3-PHENYL PROPYL PROPIONATE
BOC Sciences
For experimental / research use only.
3-Phenylpropyl Propionate
Inoue Perfumery
3-PHENYLPROPYL PROPIONATE
Parchem
3-phenyl propyl propionate
Penta International
3-PHENYLPROPYL PROPIONATE, Kosher
Sigma-Aldrich: Aldrich
For experimental / research use only.
Hydrocinnamyl Propionate
 
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 2/10, only summary available.
(Moreno, 1977p)

oral-rat LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 809, 1982.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 809, 1982.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 3-phenyl propyl propionate usage levels up to:
  20.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.30 (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: -2.40000
beverages(nonalcoholic): -0.49000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 0.8000050.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.52000
fruit ices: -0.52000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -2.00000
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
EPA Substance Registry Services (TSCA):122-74-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61052
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3-phenylpropyl propanoate
Chemidplus:0000122747
RTECS:UB9338400 for cas# 122-74-7
 
References:
 3-phenylpropyl propanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:122-74-7
Pubchem (cid):61052
Pubchem (sid):135018863
 
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):HMDB36388
FooDB:FDB015266
Export Tariff Code:2915.50.3000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
muguet undecadienal
FR
animal
para-
cresyl phenyl acetate
FL/FR
anisic
para-
anisaldehyde
FL/FR
balsamic
benzyl benzoate
FL/FR
benzyl cinnamate
FL/FR
cinnamyl alcohol
FL/FR
(E)-
cinnamyl alcohol
FL/FR
cinnamyl cinnamate
FL/FR
cyclohexyl benzoate
FL/FR
alpha-
methyl cinnamyl alcohol
FR
2-
phenyl propyl alcohol
FL/FR
3-
phenyl propyl alcohol
FL/FR
tolu balsam specialty
FR
chemical
styralyl alcohol
FL/FR
fermented
hexanal diethyl acetal
FL/FR
floral
acetophenone
FL/FR
para-
anisaldehyde / methyl anthranilate schiff's base
FR
anisyl propanal / methyl anthranilate schiff's base
FR
azalea fragrance
FR
cananga oil
FL/FR
cananga oil china
FL/FR
citronellyl acetone
FL/FR
cyclohexyl salicylate
FR
(E,E)-
digeranyl ether
FL/FR
dihydrogeranyl linalool
FR
2',4'-
dimethyl acetophenone
FL/FR
ethyl hydrocinnamate
FL/FR
floral undecenone
FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
hyacinth ether
FR
beta-
ionol
FL/FR
kewda oil
CS
para-
methyl acetophenone
FL/FR
mimosa heptanal
FR
mimusops elengi flower oil
FR
narcissus acetate
FL/FR
neryl benzoate
FL/FR
peony alcohol
FR
phenethyl formate
FL/FR
phenethyl salicylate
FL/FR
phenyl acetaldehyde / methyl anthranilate schiff's base
FR
phenyl glycol diacetate
FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
2-
phenyl propyl acetate
FL/FR
1-
phenyl propyl alcohol
FL/FR
(R)-2-
phenyl propyl alcohol
FL/FR
3-
phenyl propyl formate
FL/FR
phenyl propyl phenyl acetate
FR
(E)-2-
phenyl-1(2)-propene-1-yl acetate
FR
4-
phenyl-2-butanol
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
(Z,E)-
phytol
FL/FR
phytol
FL/FR
2-iso
propoxyethyl salicylate
FR
iso
propyl benzoate
FL/FR
reseda acetal
FR
styralyl formate
FL/FR
tea acetate
FR
fruity
benzyl methyl ether
FL/FR
benzyl propionate
FL/FR
cyclohexyl crotonate
FR
green
acetaldehyde ethyl phenethyl acetal
FL/FR
citrus carbaldehyde / methyl anthranilate schiff's base
FR
galbascone (IFF)
FR
green ether
FL/FR
heptyl cinnamate
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
(E)-2-
hexen-1-yl salicylate
FR
hyacinth absolute
FL/FR
hyacinth butanal
FR
leafy acetal
FL/FR
phenethyl oxyacetaldehyde
FR
phenoxyacetaldehyde 50% in benzyl alcohol
FR
phenyl acetaldehyde ethylene glycol acetal
FR
2-
phenyl propionaldehyde
FL/FR
herbal
cananga fruit oil
FR
eucalyptus citriodora oil
FR
methyl ortho-anisate
FL/FR
green
tea leaf absolute
FL/FR
honey
methyl hydrocinnamate
FL/FR
licorice
(E)-
anethol
FL/FR
powdery
para-
anisyl alcohol
FL/FR
spicy
amyl isoeugenol
FR
cananga leaf oil
FR
cinnamaldehyde / methyl anthranilate schiff's base
FR
cinnamyl acetate
FL/FR
iso
eugenyl acetate
FL/FR
black
poplar bud absolute
FR
woody
sandal cyclopropane
FL/FR
(Z)-
woody amylene
FR
For Flavor
No flavor group found for these
(E)-
cinnamyl alcohol
FL/FR
citronellyl acetone
FL/FR
cyclohexyl benzoate
FL/FR
(E,E)-
digeranyl ether
FL/FR
2',4'-
dimethyl acetophenone
FL/FR
ethyl hydrocinnamate
FL/FR
heptyl cinnamate
FL/FR
hexanal diethyl acetal
FL/FR
hyacinth absolute
FL/FR
methyl hydrocinnamate
FL/FR
methyl ortho-anisate
FL/FR
narcissus acetate
FL/FR
neryl benzoate
FL/FR
2-
phenyl propyl acetate
FL/FR
(R)-2-
phenyl propyl alcohol
FL/FR
3-
phenyl propyl formate
FL/FR
iso
propyl benzoate
FL/FR
styralyl formate
FL/FR
yuzunone
FL
4'-
hydroxyacetophenone
FL
amber
amber
sandal cyclopropane
FL/FR
anise
(E)-
anethol
FL/FR
aromatic
leafy acetal
FL/FR
balsamic
benzyl benzoate
FL/FR
1-
phenyl propyl alcohol
FL/FR
(Z,E)-
phytol
FL/FR
chemical
styralyl alcohol
FL/FR
creamy
para-
anisaldehyde
FL/FR
para-
methyl acetophenone
FL/FR
fatty
(Z)-3-
hexen-1-yl benzoate
FL/FR
floral
2-
acetyl-5-methyl thiophene
FL
cananga oil
FL/FR
cananga oil china
FL/FR
beta-
ionol
FL/FR
pseudo
ionone
FL
4-
phenyl-2-butanol
FL/FR
phytol
FL/FR
fruity
para-
anisyl alcohol
FL/FR
benzyl methyl ether
FL/FR
benzyl propionate
FL/FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
green
acetaldehyde ethyl phenethyl acetal
FL/FR
cinnamyl alcohol
FL/FR
green ether
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
phenethyl formate
FL/FR
2-
phenyl propionaldehyde
FL/FR
2-
phenyl propyl alcohol
FL/FR
medicinal,
phenethyl salicylate
FL/FR
phenolic
para-
cresyl phenyl acetate
FL/FR
powdery
acetophenone
FL/FR
spicy
benzyl cinnamate
FL/FR
cinnamyl acetate
FL/FR
cinnamyl cinnamate
FL/FR
iso
eugenyl acetate
FL/FR
3-
phenyl propyl alcohol
FL/FR
tea
green
tea leaf absolute
FL/FR
waxy
4-
phenyl-3-buten-2-ol
FL/FR
 
Potential Uses:
FRbalsam
FRfloral
FRhyacinth
FRrose d'orient
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
 benzene propanol propanoate
 benzenepropanol, propanoate
 hydrocinnamyl propionate
3-phenyl propyl propanoate
 phenyl propyl propionate
3-phenyl propyl propionate
beta-phenyl propyl propionate
3-phenyl-1-propanol propionate
3-phenylpropyl propanoate
3-phenylpropyl propionate
1-propanol, 3-phenyl-, propionate
 
 
Notes:
Flavouring ingredient
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