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octyl phenyl acetate
octyl phenylacetate

Supplier Sponsors

Name:octyl 2-phenylacetate
CAS Number: 122-45-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:204-545-7
FDA UNII:TDN0NV3W9J
Nikkaji Web:J184.050I
CoE Number:230
XlogP3:5.30 (est)
Molecular Weight:248.36568000
Formula:C16 H24 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:1017 octyl phenylacetate
FLAVIS Number:09.703 (Old)
DG SANTE Food Flavourings:09.703 octyl phenylacetate
FEMA Number:2812 octyl phenylacetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):122-45-2 ; OCTYL 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 viscous liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 315.00 to 318.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000161 mmHg @ 25.00 °C. (est)
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 5.477 (est)
Soluble in:
 alcohol
 water, 0.4678 mg/L @ 25 °C (est)
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
phenethyl phenyl acetate
phenyl propyl phenyl acetate
propyl 4-tert-butyl phenyl acetate
propyl phenyl acetate
isopropyl phenyl acetate
rhodinyl phenyl acetate
santalyl phenyl acetate
tetrahydrofurfuryl phenyl acetate
 
Organoleptic Properties:
Odor Type: earthy
Odor Strength:medium
rooty orange basil bois de rose earthy honey
Odor Description:at 100.00 %. rooty orange basil bois de rose earthy honey
Luebke, William tgsc, (1986)
Odor sample from: Nickstadt Moeller, Inc.
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Octyl Phenylacetate
Penta International
OCTYL PHENYLACETATE
 
Safety Information:
 
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 octyl phenyl acetate usage levels up to:
  1.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0037 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.006 (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: -4.00000
beverages(nonalcoholic): -1.30000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.200004.00000
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):122-45-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61050
National Institute of Allergy and Infectious Diseases:Data
octyl 2-phenylacetate
Chemidplus:0000122452
 
References:
 octyl 2-phenylacetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:122-45-2
Pubchem (cid):61050
Pubchem (sid):135018861
 
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 Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB37713
FooDB:FDB016841
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
1,2,3,4-
tetrahydroquinoline
FR
anisic
para-
anisyl phenyl acetate
FL/FR
balsamic
guaiacyl phenyl acetate
FL/FR
2-
phenyl propyl alcohol
FL/FR
caramellic
immortelle absolute
FL/FR
cereal
bran absolute
FR
chocolate
iso
amyl phenyl acetate
FL/FR
cocoa pentenal
FL/FR
earthy
2-
ethyl fenchol
FL/FR
fatty
methyl (E)-2-hexenoate
FL/FR
floral
bois de rose oil brazil
FL/FR
cardamom absolute
FL/FR
citronellyl isovalerate
FL/FR
citronellyl phenyl acetate
FL/FR
citronellyl valerate
FL/FR
coranol (Firmenich)
FR
decyl formate
FR
dihydrolinalool
FL/FR
3,6-
dimethyl-3-octanol
FL/FR
ethyl hydrocinnamate
FL/FR
ethyl linalool
FR
ethyl linalyl acetal
FR
ethyl linalyl acetate
FR
ethyl linalyl ether
FL/FR
ethyl phenyl acetate
FL/FR
geranyl anthranilate
FR
geranyl phenyl acetate
FL/FR
ho leaf oil
FR
ho wood oil
FR
hyacinth acetals
FL/FR
kewda oil
CS
laevo-
linalool
FL/FR
linalool
FL/FR
dextro-
linalool
FL/FR
linalool oxide
FL/FR
linalyl anthranilate
FL/FR
linalyl phenyl acetate
FL/FR
octyl isovalerate
FL/FR
bitter
orangeflower absolute morocco
FL/FR
phenethyl acetate
FL/FR
phenethyl anthranilate
FL/FR
phenethyl benzoate
FL/FR
phenethyl hexanoate
FL/FR
phenethyl phenyl acetate
FL/FR
phenethyl propionate
FL/FR
phenyl glycol diacetate
FR
3-
phenyl propyl formate
FL/FR
(E)-2-
phenyl-1(2)-propene-1-yl acetate
FR
iso
propyl anthranilate
FL/FR
iso
propyl phenyl acetate
FL/FR
rhodinyl phenyl acetate
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
rose carboxylate
FR
tetrahydrolinalool
FL/FR
tuberose absolute (from concrete)
FL/FR
tuberose absolute (from pommade)
FL/FR
wallflower absolute
FR
fruity
allyl phenoxyacetate
FL/FR
(Z)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-3-
octen-1-yl propionate
FL/FR
osmanthus flower absolute
FL/FR
rhubarb pyran
FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
tropical thiazole
FL/FR
green
galbanum oil
FL/FR
(E)-2-
hexen-1-yl phenyl acetate
FL/FR
4-
methyl-4-phenyl pentanone
FR
(Z,Z)-3,6-
nonadien-1-ol
FL/FR
phenyl acetaldehyde
FL/FR
valerian rhizome oil CO2 extract china
FL/FR
hay
beeswax absolute
FL/FR
herbal
1-
allyl-2,2,7,7-tetramethyl cycloheptanol
FR
artemisyl ketone
FL/FR
barosma betulina leaf oil
FL/FR
american
elder flower absolute
FR
matricaria chamomilla flower oil
FL/FR
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
honey
allyl phenyl acetate
FL/FR
butyl phenyl acetate
FL/FR
methyl hydrocinnamate
FL/FR
methyl phenyl acetate
FL/FR
phenethyl furoate
FL/FR
phenyl acetic acid
FL/FR
phenyl pyruvic acid
FL/FR
propyl phenyl acetate
FL/FR
medicinal
2,6-
xylenol
FL/FR
melon
(Z)-6-
nonen-1-ol
FL/FR
musty
cocoa butenal
FL/FR
nutty
vinyl sulfurol
FL/FR
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
spicy
carnation absolute
FR
cubeb oil
FL/FR
eugenyl phenyl acetate
FL/FR
iso
eugenyl phenyl acetate
FL/FR
sulfurous
cassis pentanone
FL/FR
thujonic
cistus cyclohexanone
FL/FR
tonka
melilot absolute
FR
waxy
dihydrocitronellyl acetate
FL/FR
1-
dodecanol
FL/FR
methyl butyl phenyl acetate
FL/FR
waxy acetate
FR
woody
santalyl phenyl acetate
FL/FR
vetiver oil haiti
FL/FR
vetiver resinoid
FR
vetiverol
FL/FR
vetiveryl acetate
FL/FR
For Flavor
No flavor group found for these
1-
acetyl cyclohexyl acetate
FL
artemisyl ketone
FL/FR
cistus cyclohexanone
FL/FR
citronellyl isovalerate
FL/FR
citronellyl valerate
FL/FR
dihydrocitronellyl acetate
FL/FR
elecampane root absolute
FL
elecampane root oil
FL
ethyl hydrocinnamate
FL/FR
ethyl linalyl ether
FL/FR
eugenyl phenyl acetate
FL/FR
fig leaf absolute
FL
(E)-2-
hexen-1-yl phenyl acetate
FL/FR
dextro-
linalool
FL/FR
linalyl phenyl acetate
FL/FR
melilot oleoresin
FL
methyl (E)-2-hexenoate
FL/FR
methyl hydrocinnamate
FL/FR
octyl isovalerate
FL/FR
phenethyl furoate
FL/FR
3-
phenyl propyl formate
FL/FR
iso
propyl anthranilate
FL/FR
santalyl phenyl acetate
FL/FR
vetiveryl acetate
FL/FR
beta-
damascone
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
anisic
para-
anisyl phenyl acetate
FL/FR
aromatic
hyacinth acetals
FL/FR
brown
beeswax absolute
FL/FR
burnt
2,6-
xylenol
FL/FR
citrus
citronellyl oxyacetaldehyde
FL/FR
laevo-
linalool
FL/FR
linalool
FL/FR
earthy
2-
ethyl fenchol
FL/FR
floral
iso
amyl phenyl acetate
FL/FR
bois de rose oil brazil
FL/FR
cardamom absolute
FL/FR
citronellyl phenyl acetate
FL/FR
cocoa pentenal
FL/FR
dihydrolinalool
FL/FR
geranyl phenyl acetate
FL/FR
linalyl anthranilate
FL/FR
methyl phenyl acetate
FL/FR
bitter
orangeflower absolute morocco
FL/FR
phenethyl anthranilate
FL/FR
phenethyl benzoate
FL/FR
phenethyl propionate
FL/FR
phenyl acetic acid
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
tetrahydrolinalool
FL/FR
tuberose absolute (from concrete)
FL/FR
tuberose absolute (from pommade)
FL/FR
fruity
allyl phenoxyacetate
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
(Z)-3-
octen-1-yl propionate
FL/FR
osmanthus flower absolute
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
valerian rhizome oil CO2 extract china
FL/FR
green
cassis pentanone
FL/FR
cocoa butenal
FL/FR
galbanum oil
FL/FR
(E)-3-
hexenoic acid
FL
immortelle absolute
FL/FR
linalool oxide
FL/FR
2-
phenyl propyl alcohol
FL/FR
herbal
barosma betulina leaf oil
FL/FR
3,6-
dimethyl-3-octanol
FL/FR
matricaria chamomilla flower oil
FL/FR
honey
allyl phenyl acetate
FL/FR
butyl phenyl acetate
FL/FR
ethyl phenyl acetate
FL/FR
phenethyl acetate
FL/FR
phenethyl phenyl acetate
FL/FR
phenyl acetaldehyde
FL/FR
propyl phenyl acetate
FL/FR
iso
propyl phenyl acetate
FL/FR
leafy
methyl butyl phenyl acetate
FL/FR
nutty
vinyl sulfurol
FL/FR
phenolic
para-
cresyl phenyl acetate
FL/FR
guaiacyl phenyl acetate
FL/FR
4-
methyl-2,6-dimethoxyphenol
FL/FR
phenyl pyruvic acid
FL/FR
soapy
1-
dodecanol
FL/FR
sour
2,4-
dimethyl-2-pentenoic acid
FL
spicy
cubeb oil
FL/FR
iso
eugenyl phenyl acetate
FL/FR
sweet
cyclohexyl acetic acid
FL/FR
vegetable
radish isothiocyanate
FL
waxy
(Z,Z)-3,6-
nonadien-1-ol
FL/FR
(Z)-6-
nonen-1-ol
FL/FR
phenethyl hexanoate
FL/FR
rhodinyl phenyl acetate
FL/FR
woody
vetiver oil haiti
FL/FR
vetiverol
FL/FR
 
Potential Uses:
FRearth
FRfloral
FRherbal
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 acetic acid, phenyl-, octyl ester
 benzene acetic acid octyl ester
 benzeneacetic acid, octyl ester
 octyl 2-phenylacetate
 octyl a-toluate
 octyl alpha-toluate
 octyl benzene acetate
 octyl benzeneacetate
 octyl phenylacetate
 phenyl acetic acid octyl ester
 
 
Notes:
Flavouring ingredient
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