octyl phenyl acetate
octyl phenylacetate
 
Notes:
Flavouring ingredient
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      Product(s):
      15-38500 OCTYL PHENYLACETATE
       
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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
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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.
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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
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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 and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Octyl Phenylacetate
Penta International
OCTYL PHENYLACETATE
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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
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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
Click here to view publication 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: --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of phenethyl alcohol, aldehydes, acids, and related acetals and esters used as flavor ingredients. View pdf
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
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References:
 octyl 2-phenylacetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 122-45-2
Pubchem (cid): 61050
Pubchem (sid): 135018861
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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
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Potential Blenders and core components note
 
For Odor
acidic
 cyclohexyl acetic acidFL/FR
aldehydic
 citronellyl oxyacetaldehydeFL/FR
animal
para-cresyl phenyl acetateFL/FR
1,2,3,4-tetrahydroquinolineFR
anisic
para-anisyl phenyl acetateFL/FR
balsamic
 guaiacyl phenyl acetateFL/FR
2-phenyl propyl alcoholFL/FR
caramellic
 immortelle absoluteFL/FR
cereal
 bran absoluteFR
chocolate
isoamyl phenyl acetateFL/FR
 cocoa pentenalFL/FR
earthy
2-ethyl fencholFL/FR
fatty
 methyl (E)-2-hexenoateFL/FR
 bois de rose oil brazilFL/FR
 cardamom absoluteFL/FR
 citronellyl isovalerateFL/FR
 citronellyl phenyl acetateFL/FR
 citronellyl valerateFL/FR
 coranol (Firmenich)FR
 decyl formateFR
 dihydrolinaloolFL/FR
3,6-dimethyl-3-octanolFL/FR
 ethyl hydrocinnamateFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 ethyl phenyl acetateFL/FR
 geranyl anthranilateFR
 geranyl phenyl acetateFL/FR
 ho leaf oilFR
 ho wood oilFR
 hyacinth acetalsFL/FR
 kewda absolute 
 kewda oilCS
laevo-linaloolFL/FR
 linaloolFL/FR
dextro-linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 linalyl phenyl acetateFL/FR
 octyl isovalerateFL/FR
bitter orangeflower absolute moroccoFL/FR
 phenethyl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenethyl benzoateFL/FR
 phenethyl hexanoateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl propionateFL/FR
 phenyl glycol diacetateFR
3-phenyl propyl formateFL/FR
(E)-2-phenyl-1(2)-propene-1-yl acetateFR
isopropyl anthranilateFL/FR
isopropyl phenyl acetateFL/FR
 rhodinyl phenyl acetateFL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
 rose carboxylateFR
 tetrahydrolinaloolFL/FR
 tuberose absolute (from concrete)FL/FR
 tuberose absolute (from pommade)FL/FR
 wallflower absoluteFR
fruity
 allyl phenoxyacetateFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
(Z)-3-octen-1-yl propionateFL/FR
 osmanthus flower absoluteFL/FR
 rhubarb pyranFR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
 tropical thiazoleFL/FR
green
 galbanum oilFL/FR
(E)-2-hexen-1-yl phenyl acetateFL/FR
4-methyl-4-phenyl pentanoneFR
(Z,Z)-3,6-nonadien-1-olFL/FR
 phenyl acetaldehydeFL/FR
 valerian rhizome oil CO2 extract chinaFL/FR
hay
 beeswax absoluteFL/FR
herbal
1-allyl-2,2,7,7-tetramethyl cycloheptanolFR
 artemisyl ketoneFL/FR
 barosma betulina leaf oilFL/FR
american elder flower absoluteFR
 matricaria chamomilla flower oilFL/FR
 valerian rhizome oilFL/FR
 valerian rhizome oil chinaFL/FR
honey
 allyl phenyl acetateFL/FR
 butyl phenyl acetateFL/FR
 methyl hydrocinnamateFL/FR
 methyl phenyl acetateFL/FR
 phenethyl furoateFL/FR
 phenyl acetic acidFL/FR
 phenyl pyruvic acidFL/FR
 propyl phenyl acetateFL/FR
medicinal
2,6-xylenolFL/FR
melon
(Z)-6-nonen-1-olFL/FR
musty
 cocoa butenalFL/FR
nutty
 vinyl sulfurolFL/FR
phenolic
4-methyl-2,6-dimethoxyphenolFL/FR
spicy
 carnation absoluteFR
 cubeb oilFL/FR
 eugenyl phenyl acetateFL/FR
isoeugenyl phenyl acetateFL/FR
sulfurous
 cassis pentanoneFL/FR
thujonic
 cistus cyclohexanoneFL/FR
tonka
 melilot absoluteFR
waxy
 dihydrocitronellyl acetateFL/FR
1-dodecanolFL/FR
 methyl butyl phenyl acetateFL/FR
 waxy acetateFR
 santalyl phenyl acetateFL/FR
 vetiver oil haitiFL/FR
 vetiver resinoidFR
 vetiverolFL/FR
 vetiveryl acetateFL/FR
 
For Flavor
 
No flavor group found for these
1-acetyl cyclohexyl acetateFL
 artemisyl ketoneFL/FR
 cistus cyclohexanoneFL/FR
 citronellyl isovalerateFL/FR
 citronellyl valerateFL/FR
 dihydrocitronellyl acetateFL/FR
 elecampane root absoluteFL
 elecampane root oilFL
 ethyl hydrocinnamateFL/FR
 ethyl linalyl etherFL/FR
 eugenyl phenyl acetateFL/FR
 fig leaf absoluteFL
(E)-2-hexen-1-yl phenyl acetateFL/FR
 kewda absolute 
dextro-linaloolFL/FR
 linalyl phenyl acetateFL/FR
 melilot oleoresinFL
 methyl (E)-2-hexenoateFL/FR
 methyl hydrocinnamateFL/FR
 octyl isovalerateFL/FR
 phenethyl furoateFL/FR
3-phenyl propyl formateFL/FR
isopropyl anthranilateFL/FR
 santalyl phenyl acetateFL/FR
 vetiveryl acetateFL/FR
beta-damasconeFL/FR
alliaceous
 tropical thiazoleFL/FR
anisic
para-anisyl phenyl acetateFL/FR
aromatic
 hyacinth acetalsFL/FR
brown
 beeswax absoluteFL/FR
burnt
2,6-xylenolFL/FR
citrus
 citronellyl oxyacetaldehydeFL/FR
laevo-linaloolFL/FR
 linaloolFL/FR
earthy
2-ethyl fencholFL/FR
floral
isoamyl phenyl acetateFL/FR
 bois de rose oil brazilFL/FR
 cardamom absoluteFL/FR
 citronellyl phenyl acetateFL/FR
 cocoa pentenalFL/FR
 dihydrolinaloolFL/FR
 geranyl phenyl acetateFL/FR
 linalyl anthranilateFL/FR
 methyl phenyl acetateFL/FR
bitter orangeflower absolute moroccoFL/FR
 phenethyl anthranilateFL/FR
 phenethyl benzoateFL/FR
 phenethyl propionateFL/FR
 phenyl acetic acidFL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
 tetrahydrolinaloolFL/FR
 tuberose absolute (from concrete)FL/FR
 tuberose absolute (from pommade)FL/FR
fruity
 allyl phenoxyacetateFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
(Z)-3-octen-1-yl propionateFL/FR
 osmanthus flower absoluteFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
 valerian rhizome oilFL/FR
 valerian rhizome oil chinaFL/FR
 valerian rhizome oil CO2 extract chinaFL/FR
green
 cassis pentanoneFL/FR
 cocoa butenalFL/FR
 galbanum oilFL/FR
(E)-3-hexenoic acidFL
 immortelle absoluteFL/FR
 linalool oxideFL/FR
2-phenyl propyl alcoholFL/FR
herbal
 barosma betulina leaf oilFL/FR
3,6-dimethyl-3-octanolFL/FR
 matricaria chamomilla flower oilFL/FR
honey
 allyl phenyl acetateFL/FR
 butyl phenyl acetateFL/FR
 ethyl phenyl acetateFL/FR
 phenethyl acetateFL/FR
 phenethyl phenyl acetateFL/FR
 phenyl acetaldehydeFL/FR
 propyl phenyl acetateFL/FR
isopropyl phenyl acetateFL/FR
leafy
 methyl butyl phenyl acetateFL/FR
nutty
 vinyl sulfurolFL/FR
phenolic
para-cresyl phenyl acetateFL/FR
 guaiacyl phenyl acetateFL/FR
4-methyl-2,6-dimethoxyphenolFL/FR
 phenyl pyruvic acidFL/FR
soapy
1-dodecanolFL/FR
sour
2,4-dimethyl-2-pentenoic acidFL
spicy
 cubeb oilFL/FR
isoeugenyl phenyl acetateFL/FR
sweet
 cyclohexyl acetic acidFL/FR
vegetable
 radish isothiocyanateFL
waxy
(Z,Z)-3,6-nonadien-1-olFL/FR
(Z)-6-nonen-1-olFL/FR
 phenethyl hexanoateFL/FR
 rhodinyl phenyl acetateFL/FR
woody
 vetiver oil haitiFL/FR
 vetiverolFL/FR
 
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Potential Uses:
 earthFR
 floralFR
 herbalFR
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Occurrence (nature, food, other): note
 not found in nature
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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
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