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

isopropyl phenyl acetate
isopropyl phenylacetate

Sponsors

Name:propan-2-yl 2-phenylacetate
CAS Number: 4861-85-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:225-468-5
FDA UNII:A8L7NAJ0YO
Nikkaji Web:J260.915K
MDL:MFCD00051546
CoE Number:2158
XlogP3:2.60 (est)
Molecular Weight:178.23098000
Formula:C11 H14 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:1011 isopropyl phenylacetate
FLAVIS Number:09.786 (Old)
DG SANTE Food Flavourings:09.786 isopropyl phenylacetate
FEMA Number:2956 isopropyl phenylacetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: ISOPROPYL 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:1.00100 @ 25.00 °C.
Refractive Index:1.49500 @ 20.00 °C.
Boiling Point: 157.00 to 165.00 °C. @ 12.00 mm Hg
Boiling Point: 238.00 to 253.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.044000 mm/Hg @ 25.00 °C. (est)
Flash Point: 225.00 °F. TCC ( 107.22 °C. )
logP (o/w): 2.774 (est)
Soluble in:
 alcohol
 water, 157.2 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 cream
 hair spray
 lipstick
 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
propyl phenyl acetate
rhodinyl phenyl acetate
santalyl phenyl acetate
tetrahydrofurfuryl phenyl acetate
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
sweet honeysuckle powdery cortex
Odor Description:at 100.00 %. sweet honeysuckle powdery viney
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.
isoPropylphenyl Acetate
Grau Aromatics
iso-PROPYL-PHENYLACETATE
Kosher
Penta International
ISOPROPYL PHENYLACETATE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
Isopropyl phenylacetate
SRS Aromatics
isoPROPYL PHENYL ACETATE
Synerzine
isoPropyl Phenylacetate
 
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.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for isopropyl phenyl acetate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.061 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (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: 3.000008.00000
beverages(nonalcoholic): 0.200000.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.80000
fruit ices: -1.80000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.500008.00000
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 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

EPI System: View
EPA Substance Registry Services (TSCA):4861-85-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62553
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
propan-2-yl 2-phenylacetate
Chemidplus:0004861852
EPA/NOAA CAMEO:hazardous materials
 
References:
 propan-2-yl 2-phenylacetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:4861-85-2
Pubchem (cid):62553
Pubchem (sid):135020613
Pherobase:View
 
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):HMDB40426
FooDB:FDB020159
Export Tariff Code:2916.35.1500
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acidic
cyclohexyl acetic acid
FL/FR
aldehydic
citronellyl oxyacetaldehyde
FL/FR
animal
para-
cresyl phenyl acetate
FL/FR
balsamic
3-
phenyl propyl alcohol
FL/FR
2-
phenyl propyl alcohol
FL/FR
propyl cinnamate
FL/FR
tetrahydrofurfuryl cinnamate
FL/FR
berry
raspberry ketone methyl ether
FL/FR
bready
bran resinoid
FR
chocolate
iso
butyl phenyl acetate
FL/FR
cocoa pentenal
FL/FR
tetrahydrofurfuryl phenyl acetate
FL/FR
floral
anisyl propanal / methyl anthranilate schiff's base
FR
citronellyl isovalerate
FL/FR
citronellyl phenyl acetate
FL/FR
decyl formate
FR
dimethyl benzyl carbinol
FL/FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
ethyl hydrocinnamate
FL/FR
ethyl phenyl acetate
FL/FR
genet concrete
FR
geranyl anthranilate
FR
geranyl phenyl acetate
FL/FR
hyacinth acetals
FL/FR
kewda fragrance
FR
kewda oil
CS
linalyl phenyl acetate
FL/FR
linden flower absolute
FR
beta-
naphthyl methyl ketone
FL/FR
narcissus specialty
FR
ocean propanal / methyl anthranilate schiff's base
FR
octyl isovalerate
FL/FR
bitter
orangeflower absolute morocco
FL/FR
phenethyl acetate
FL/FR
phenethyl benzoate
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl phenyl acetate
FL/FR
phenethyl propionate
FL/FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
3-
phenyl propyl formate
FL/FR
iso
propyl anthranilate
FL/FR
rhodinyl phenyl acetate
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
rose acetate
FR
rose carboxylate
FR
laevo-
rose oxide
FL/FR
tilia cordata flower oil CO2 extract
FR
tuberose absolute (from concrete)
FL/FR
tuberose absolute (from pommade)
FL/FR
fresh
decyl vinyl ether
FR
fruity
iso
butyl anthranilate
FL/FR
beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
green
2-iso
butyl thiazole
FL/FR
cumin acetaldehyde
FL/FR
3-
hexenal
FL/FR
ivy carbaldehyde
FL/FR
3,5-
ivy carbaldehyde
FL/FR
2,4-
ivy carbaldehyde
FL/FR
3,6-
ivy carbaldehyde
FL/FR
ivy dioxolane
FR
leafy oxime
FR
narcissus flower absolute
FR
phenethyl acetal
FR
phenoxyacetaldehyde 50% in benzyl alcohol
FR
phenoxyethyl isobutyrate
FL/FR
phenyl acetaldehyde
FL/FR
3-
phenyl propionaldehyde
FL/FR
iso
propyl quinoline
FR
honey
butyl phenyl acetate
FL/FR
methyl phenyl acetate
FL/FR
phenethyl furoate
FL/FR
phenyl acetic acid
FL/FR
propyl phenyl acetate
FL/FR
musty
cocoa butenal
FL/FR
spicy
cinnamyl acetate
FL/FR
iso
eugenyl phenyl acetate
FL/FR
honey extract
CS
waxy
allyl nonanoate
FL/FR
waxy acetate
FR
For Flavor
No flavor group found for these
1-
acetyl cyclohexyl acetate
FL
citronellyl isovalerate
FL/FR
ethyl hydrocinnamate
FL/FR
3,5-
ivy carbaldehyde
FL/FR
ivy carbaldehyde
FL/FR
linalyl phenyl acetate
FL/FR
octyl isovalerate
FL/FR
phenethyl furoate
FL/FR
3-
phenyl propyl formate
FL/FR
iso
propyl anthranilate
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
tetrahydrofurfuryl cinnamate
FL/FR
tetrahydrofurfuryl phenyl acetate
FL/FR
beta-
damascone
FL/FR
aromatic
aromatic
hyacinth acetals
FL/FR
berry
raspberry ketone methyl ether
FL/FR
citrus
citronellyl oxyacetaldehyde
FL/FR
cocoa
iso
butyl phenyl acetate
FL/FR
floral
citronellyl phenyl acetate
FL/FR
cocoa pentenal
FL/FR
geranyl phenyl acetate
FL/FR
methyl phenyl acetate
FL/FR
beta-
naphthyl methyl ketone
FL/FR
bitter
orangeflower absolute morocco
FL/FR
phenethyl benzoate
FL/FR
phenethyl propionate
FL/FR
phenyl acetic acid
FL/FR
laevo-
rose oxide
FL/FR
tuberose absolute (from concrete)
FL/FR
tuberose absolute (from pommade)
FL/FR
fruity
iso
butyl anthranilate
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
methyl 4-phenyl butyrate
FL
propyl cinnamate
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
green
2-iso
butyl thiazole
FL/FR
cocoa butenal
FL/FR
cumin acetaldehyde
FL/FR
3-
hexenal
FL/FR
3,6-
ivy carbaldehyde
FL/FR
2,4-
ivy carbaldehyde
FL/FR
phenoxyethyl isobutyrate
FL/FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
3-
phenyl propionaldehyde
FL/FR
2-
phenyl propyl alcohol
FL/FR
honey
butyl phenyl acetate
FL/FR
ethyl phenyl acetate
FL/FR
phenethyl acetate
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl phenyl acetate
FL/FR
phenyl acetaldehyde
FL/FR
propyl phenyl acetate
FL/FR
medicinal
dimethyl benzyl carbinol
FL/FR
phenolic
para-
cresyl phenyl acetate
FL/FR
sour
2,4-
dimethyl-2-pentenoic acid
FL
spicy
cinnamyl acetate
FL/FR
iso
eugenyl phenyl acetate
FL/FR
3-
phenyl propyl alcohol
FL/FR
sweet
cyclohexyl acetic acid
FL/FR
waxy
allyl nonanoate
FL/FR
rhodinyl phenyl acetate
FL/FR
 
Potential Uses:
FRapricot
FRberry
FLcaramel
FRhoney
FRhoneysuckle
FRhyacinth
FRlilac
FRlily
FRrose
FRrose d'orient
FLtea
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 acetic acid, phenyl-, isopropyl ester
 benzene acetic acid 1-methyl ethyl ester
 benzeneacetic acid 1-methylethyl ester
 benzeneacetic acid, 1-methylethyl ester
1-methyl ethyl benzene acetate
1-methylethyl benzeneacetate
1-methylethylbenzene acetate
 phenyl acetic acid isopropyl ester
 phenylacetic acid isopropyl ester
 propan-2-yl 2-phenylacetate
 propan-2-yl phenylacetate
isopropyl a-toluate
isopropyl alpha-toluate
isopropyl phenylacetate
 
 
Notes:
Flavouring ingredient
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