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    General Material Information
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allyl phenyl acetate

Chemical Structure

General Material Information

Preferred name allyl phenyl acetate
Trivial Name 2-Propen-1-yl benzeneacetate
Short Description phenylacetic acid allyl ester
Formula C11 H12 O2
CAS Number 1797-74-6
FEMA Number 2039
Flavis Number 9.79
ECHA Number 217-281-2
FDA UNII 3D2NBC7K7Q
Nikkaji Number J33.470G
Beilstein Number 1867491
MDL MFCD00048176
COE Number 2162
xLogP3-AA 2.40 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 17 allyl phenylacetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 1797-74-6 ; ALLYL PHENYLACETATE
Synonyms
  • acetic acid phenyl allyl ester
  • allyl a-toluate
  • allyl alpha-toluate
  • allyl phenylacetate
  • benzeneacetic acid, 2-propen-1-yl ester
  • benzeneacetic acid, 2-propenyl ester
  • phenyl acetic acid allyl ester
  • phenylacetic acid allyl ester
  • prop-2-enyl 2-phenylacetate
  • 2-propenyl benzene acetate
  • 2-propenyl benzeneacetate
  • 2-propenyl phenyl acetate
  • 2-propenyl phenylacetate
  • Acetic acid, phenyl-, allyl ester
  • 2-Propen-1-yl benzeneacetate
  • NSC 6574
  • Allyl 2-phenylethanoate

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

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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):HMDB36905
FooDB:FDB015868
Export Tariff Code:2916.39.7700
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 176.21504211426
Specific gravity @ 25 °C
Pounds per Gallon 8.596 to 8.662
Specific gravity @ 20 °C
Pounds per Gallon 8.647 to 8.681
Refractive Index 1.507 to 1.51 @ 20 °C
Boiling Point 239 to 240°C @ 760 mm Hg
Boiling Point 89 to 93°C @ 3 mm Hg
Vapor Pressure 0.017 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 2.661 est
Solubility
alcohol Yes
water, 181.9 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Honey
honey, fruity, rummy
General comment At 100.00 %. honey fruity rum
Flavor Type: Honey
honey
General comment Honey

Occurrences

Potential Uses

Applications
Odor purposes Fruit, Honey
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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:
oral-rat LD50 650 mg/kg
Food and Cosmetics Toxicology. Vol. 15, Pg. 621, 1977.

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
IFRA Purity Specification:
Recommendation for allyl phenyl acetate usage levels up to:
4.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.01 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA):
Structure Class: II
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: -40.00000
beverages(nonalcoholic): 0.060003.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -8.00000
fruit ices: -8.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -14.00000
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):

EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,ß-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):1797-74-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :15717
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WGK Germany:3
prop-2-enyl 2-phenylacetate
Chemidplus:0001797746
RTECS:AJ2450000 for cas# 1797-74-6