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propyl phenyl acetate
propyl phenylacetate

Supplier Sponsors

Name:propyl 2-phenylacetate
CAS Number: 4606-15-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:225-012-5
FDA UNII: 597S2W2M87
Nikkaji Web:J184.046K
MDL:MFCD00048692
CoE Number:229
XlogP3:2.80 (est)
Molecular Weight:178.23098000
Formula:C11 H14 O2
NMR Predictor:Predict (works with chrome, Edge 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:1010 propyl phenylacetate
DG SANTE Food Flavourings:09.702 propyl phenylacetate
FEMA Number:2955 propyl phenylacetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):4606-15-9 ; PROPYL PHENYLACETATE
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: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.00500 @ 25.00 °C.
Specific Gravity:0.98500 to 0.99500 @ 15.50 °C.
Pounds per Gallon - est.: 8.196 to 8.279
Refractive Index:1.49400 @ 20.00 °C.
Boiling Point: 240.00 °C. @ 753.00 mm Hg
Boiling Point: 253.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.031000 mmHg @ 25.00 °C. (est)
Flash Point:> 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 2.930 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 136 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 cream
 hair spray
 lotion
 non-discoloring in most media
 powder
 soap
Similar Items:note
allyl phenyl acetate
amyl phenyl acetate
isoamyl phenyl acetate
para-anisyl phenyl acetate
benzyl phenyl acetate
isobornyl phenyl acetate
butyl phenyl acetate
isobutyl phenyl acetate
cinnamyl phenyl acetate
citronellyl phenyl acetate
meta-cresyl phenyl acetate
para-cresyl phenyl acetate
cyclohexyl phenyl acetate
dimethyl octanyl phenyl acetate
ethyl phenyl acetate
eugenyl phenyl acetate
isoeugenyl phenyl acetate
furfuryl phenyl acetate
geranyl phenyl acetate
guaiacyl phenyl acetate
heptyl phenyl acetate
(E)-2-hexen-1-yl phenyl acetate
(Z)-3-hexen-1-yl phenyl acetate
hexyl phenyl acetate
linalyl phenyl acetate
menthyl phenyl acetate
laevo-menthyl phenyl acetate
methyl butyl phenyl acetate
methyl phenyl acetate
neryl phenyl acetate
nonyl phenyl acetate
octyl phenyl acetate
phenethyl phenyl acetate
phenyl propyl phenyl acetate
propyl 4-tert-butyl phenyl acetate
isopropyl phenyl acetate
rhodinyl phenyl acetate
santalyl phenyl acetate
tetrahydrofurfuryl phenyl acetate
 
Organoleptic Properties:
Odor Type: honey
sweet honey floral apricot rose
Odor Description:at 100.00 %. sweet honey floral apricot rose
sweet honey floral rose
Odor Description:at 1.00 %. Sweet, honey, floral, with a rose-like nuance
Mosciano, Gerard P&F 26, No. 3, 80, (2001)
Flavor Type: honey
sweet honey floral fermented balsamic
Taste Description: at 1.00 - 5.00 ppm. Sweet, honey, floral with a fermented balsamic nuance
Mosciano, Gerard P&F 26, No. 3, 80, (2001)
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.
Propyl Phenylacetate
Grau Aromatics
PROPYL-PHENYLACETATE
NI, Kosher
Inoue Perfumery
PROPYL PHENYL ACETATE
Lluch Essence
PROPYL PHENYL ACETATE
M&U International
NAT. PROPYL PHENYLACETATE
Penta International
PROPYL PHENYLACETATE
SRS Aromatics
PROPYL PHENY LACETATE
 
Safety Information:
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.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for propyl phenyl acetate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.13 (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
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: 1.000005.00000
beverages(nonalcoholic): 0.300001.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.300001.50000
fruit ices: 0.300001.50000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -2.70000
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 14 (FGE.14): Phenethyl alcohol, aldehyde, esters, and related phenylacetic acid esters from chemical group 15 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 53 (FGE.53): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and one phenoxyethyl ester evaluated in FGE.23 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 14, Revision 1 (FGE.14Rev1): Phenethyl alcohol, aldehyde, acetals, carboxylic acid and related esters from chemical group 15 and 22 [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 53, Revision 1 (FGE.53Rev1): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) FGE.23Rev1 (2008)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87.
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):4606-15-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :221641
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
propyl 2-phenylacetate
Chemidplus:0004606159
 
References:
 propyl 2-phenylacetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:4606-15-9
Pubchem (cid):221641
Pubchem (sid):135263975
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (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):HMDB40425
FooDB:FDB020158
Export Tariff Code:2916.35.1500
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
animal
para-
cresyl phenyl acetate
FL/FR
balsamic
benzyl salicylate
FL/FR
3-
phenyl propyl alcohol
FL/FR
3-
phenyl propyl cinnamate
FL/FR
bready
bran resinoid
FR
cereal
bran absolute
FR
chocolate
iso
butyl phenyl acetate
FL/FR
cocoa pentenal
FL/FR
tetrahydrofurfuryl phenyl acetate
FL/FR
ethereal
ethyl formate
FL/FR
fermented
iso
butyl decanoate
FL/FR
floral
amyl nonanoate
FL/FR
butyl nonanoate
FL/FR
citronellyl formate
FL/FR
citronellyl isovalerate
FL/FR
citronellyl phenyl acetate
FL/FR
decyl formate
FR
ethyl (E)-cinnamate
FL/FR
ethyl hydrocinnamate
FL/FR
ethyl phenyl acetate
FL/FR
genet concrete
FR
geranyl isobutyrate
FL/FR
geranyl phenyl acetate
FL/FR
heptyl propionate
FL/FR
hyacinth acetals
FL/FR
jasmin lactone (IFF)
FL/FR
kewda fragrance
FR
kewda oil
CS
linalyl phenyl acetate
FL/FR
linden flower absolute
FR
linden flower absolute replacer
FR
narcissus specialty
FR
octyl isovalerate
FL/FR
phenethyl acetate
FL/FR
phenethyl benzoate
FL/FR
phenethyl heptanoate
FL/FR
phenethyl hexanoate
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl isovalerate
FL/FR
phenethyl phenyl acetate
FL/FR
1-
phenyl propyl butyrate
FL/FR
3-
phenyl propyl formate
FL/FR
iso
propyl anthranilate
FL/FR
iso
propyl phenyl acetate
FL/FR
rhodinyl phenyl acetate
FL/FR
rose carboxylate
FR
tilia cordata flower oil CO2 extract
FR
fruity
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
2-
butanol
FL/FR
butyl 2-decenoate
FL/FR
iso
butyl anthranilate
FL/FR
(E)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
decen-1-yl cyclopentanone
FL/FR
dihydroactinidolide
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
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
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
green
benzyl hexanoate
FL/FR
heptyl acetate
FL/FR
4-
methyl-4-phenyl pentanone
FR
phenoxyethyl isobutyrate
FL/FR
phenyl acetaldehyde
FL/FR
herbal
linalyl isovalerate
FL/FR
honey
butyl phenyl acetate
FL/FR
methyl phenyl acetate
FL/FR
phenethyl furoate
FL/FR
phenyl acetic acid
FL/FR
musty
cocoa butenal
FL/FR
spicy
iso
eugenyl phenyl acetate
FL/FR
honey extract
CS
waxy
ethyl octanoate
FL/FR
waxy acetate
FR
woody
santalyl phenyl acetate
FL/FR
For Flavor
No flavor group found for these
1-
acetyl cyclohexyl acetate
FL
allyl cyclohexyl valerate
FL
amyl isobutyrate
FL/FR
amyl nonanoate
FL/FR
amyl propionate
FL/FR
benzyl heptanoate
FL/FR
benzyl hexanoate
FL/FR
2-
butanol
FL/FR
iso
butyl decanoate
FL/FR
butyl nonanoate
FL/FR
citronellyl isovalerate
FL/FR
ethyl (E)-cinnamate
FL/FR
ethyl hydrocinnamate
FL/FR
jasmin lactone (IFF)
FL/FR
linalyl phenyl acetate
FL/FR
linalyl valerate
FL/FR
octyl isovalerate
FL/FR
phenethyl furoate
FL/FR
phenethyl heptanoate
FL/FR
1-
phenyl propyl butyrate
FL/FR
3-
phenyl propyl formate
FL/FR
iso
propyl anthranilate
FL/FR
santalyl phenyl acetate
FL/FR
tetrahydrofurfuryl phenyl acetate
FL/FR
beta-
damascone
FL/FR
alliaceous
alliaceous
allyl propionate
FL/FR
aromatic
hyacinth acetals
FL/FR
balsamic
benzyl salicylate
FL/FR
berry
heptyl isobutyrate
FL/FR
cocoa
iso
butyl phenyl acetate
FL/FR
creamy
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
ethereal
ethyl formate
FL/FR
floral
citronellyl phenyl acetate
FL/FR
cocoa pentenal
FL/FR
geranyl isobutyrate
FL/FR
geranyl phenyl acetate
FL/FR
methyl phenyl acetate
FL/FR
phenethyl benzoate
FL/FR
phenyl acetic acid
FL/FR
fruity
iso
amyl isobutyrate
FL/FR
benzyl butyrate
FL/FR
butyl 2-decenoate
FL/FR
iso
butyl anthranilate
FL/FR
citronellyl formate
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
decen-1-yl cyclopentanone
FL/FR
dihydroactinidolide
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
2-
furyl pentyl ketone
FL
heptyl propionate
FL/FR
linalyl isovalerate
FL/FR
methyl 4-phenyl butyrate
FL
phenethyl isovalerate
FL/FR
propyl butyrate
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
green
cocoa butenal
FL/FR
heptyl acetate
FL/FR
phenoxyethyl isobutyrate
FL/FR
honey
butyl phenyl acetate
FL/FR
ethyl phenyl acetate
FL/FR
honey flavor
FL
phenethyl acetate
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl phenyl acetate
FL/FR
phenyl acetaldehyde
FL/FR
iso
propyl phenyl acetate
FL/FR
phenolic
para-
cresyl phenyl acetate
FL/FR
sour
2,4-
dimethyl-2-pentenoic acid
FL
spicy
iso
eugenyl phenyl acetate
FL/FR
3-
phenyl propyl alcohol
FL/FR
2-
phenyl propyl butyrate
FL/FR
3-
phenyl propyl cinnamate
FL/FR
waxy
iso
amyl butyrate
FL/FR
ethyl octanoate
FL/FR
phenethyl hexanoate
FL/FR
rhodinyl phenyl acetate
FL/FR
winey
iso
amyl nonanoate
FL/FR
 
Potential Uses:
FRapricot
FLchocolate cacao
FRcurrant
FRdate
FRfig
FRfruit
FLgrenadine
FRhoney
FRmaple
FRpeach
FRrose
FLtea
FRtobacco
FLtropical
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
 acetic acid, phenyl-, propyl ester
 benzene acetic acid propyl ester
 benzeneacetic acid propyl ester
 benzeneacetic acid, propyl ester
 phenyl acetic acid propyl ester
 phenylacetic acid propyl ester
 propyl 2-phenylacetate
 propyl a-toluate
 propyl alpha-toluate
 propyl benzene acetate
 propyl benzeneacetate
 propyl phenylacetate
N-propyl-a-toluate
 propyl-phenylacetate
 
 
Notes:
Flavouring ingredient
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