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octyl phenyl acetate

Chemical Structure

General Material Information

Preferred name octyl phenyl acetate
Trivial Name Octyl phenylacetate
Short Description octyl phenylacetate
Formula C16 H24 O2
CAS Number 122-45-2
FEMA Number 2812
Flavis Number 9.703
ECHA Number 204-545-7
FDA UNII TDN0NV3W9J
Nikkaji Number J184.050I
COE Number 230
NMR Predictor External link
JECFA Food Flavoring 1017 octyl phenylacetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 122-45-2 ; OCTYL PHENYLACETATE
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
  • Phenylacetic acid octyl ester

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Google Books Start search
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Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
NCBI Start search

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):HMDB37713
FooDB:FDB016841
Export Tariff Code:2916.35.1500
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 248.36567687988
Boiling Point 315 to 318°C @ 760 mm Hg
Vapor Pressure 0.000161 mmHg @ 25 °C
Flash Point TCC Value 110 °C TCC
logP (o/w) 5.477 est
Solubility
alcohol Yes
water, 0.4678 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Earthy
rooty, orange, basil, bois de rose, earthy, honey
Luebke, William tgsc, (1986) At 100.00 %. rooty orange basil bois de rose earthy honey

Potential Uses

Applications
Odor purposes Earth, Floral, Herbal

Safety Information

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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: --

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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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