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ethyl phenyl acetate

Chemical Structure

General Material Information

Preferred name ethyl phenyl acetate
Trivial Name Ethyl phenylacetate
Short Description ethyl phenylacetate
Formula C10 H12 O2
CAS Number 101-97-3
FEMA Number 2452
Flavis Number 9.784
ECHA Number 202-993-8
FDA UNII V6CNZ04D8O
Nikkaji Number J2.846K
Beilstein Number 0509140
MDL MFCD00009178
COE Number 2156
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1009 ethyl phenylacetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 101-97-3 ; ETHYL PHENYLACETATE
Synonyms
  • acetic acid, phenyl-, ethyl ester
  • benzene acetic acid ethyl ester
  • benzeneacetic acid ethyl ester
  • ethyl 2-phenyl ethanoate
  • ethyl 2-phenylacetate
  • ethyl a-toluate
  • ethyl alpha-toluate
  • ethyl benzene acetate
  • ethyl benzeneacetate
  • ethyl phenyl acetate natural
  • ethyl phenyl ethanoate
  • ethyl phenylacetate
  • ethyl phenylacetate FCC
  • ethyl phenylethanoate
  • ethyl-phenylacetate
  • ethylphenylacetate
  • phenyl acetic acid ethyl ester
  • phenyl-acetic acid ethyl ester
  • phenylacetic acid ethyl ester
  • phenylacetic acid ethylester
  • phenylaceticacidethylester
  • alpha- toluic acid ethyl ester
  • Benzeneacetic acid, ethyl ester
  • Ethyl α-toluate
  • α-Toluic acid ethyl ester
  • Ethyl phenacetate
  • Ethyl 2-phenylethanoate
  • 2-Phenylacetic acid ethyl ester
  • NSC 406259
  • NSC 8894
  • Ethyl α-phenylacetate

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB32618
FooDB:FDB010560
Export Tariff Code:2916.39.7900
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 164.20404052734
Specific gravity @ 25 °C
Pounds per Gallon 8.56 to 8.566
Refractive Index 1.495 to 1.498 @ 20 °C
Boiling Point 227 to 229°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.09 mmHg @ 25 °C
Vapor Density 5.6
Flash Point TCC Value 77.78 °C TCC
logP (o/w) 2.28
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
fixed oils Yes
water, 739.4 mg/L @ 25 °C (est) Yes
water No
glycerin No
propylene glycol No
Stability
non-discoloring in most media Unspecified

Organoleptic Properties

Odor Type: Floral
sweet, floral, honey, rose, balsamic, cocoa, chocolate dark chocolate, anisic, licorice black licorice
Odor strength high , recommend smelling in a 10.00 % solution or less
Substantivity 312 hour(s) at 100.00 %
Luebke, William tgsc, (1995) At 10.00 % in dipropylene glycol. sweet floral honey rose balsam cocoa
Mosciano, Gerard P&F 25, No. 4, 71, (2000) At 1.00 %. Floral honey, rosy with balsamic dark chocolate and cocoa notes with anisic black licorice nuances
Flavor Type: Honey
sweet, rose, honey, balsamic, cocoa, molasses, yeasty
Mosciano, Gerard P&F 25, No. 4, 71, (2000) At 5.00 - 10.00 ppm. Strong sweet rosy honey and balsamic cocoa-like with molasses and yeasty nuances
Useful in: brown cocoa, brown others, dairy, vanilla, fruity red, fruity yellow, fruity tropical, sweet others. Sweet, honey, waxy, fruity
General comment Sweet, aromatic,waxy

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
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 37/39 - Wear suitable gloves and eye/face protection.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Acute toxicity, Oral (Category 4), H302
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H302 - Harmful if swallowed
Precautionary statement(s)
P264 - Wash skin thouroughly after handling.
P270 - Do not eat, drink or smoke when using this product.
P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P330 - Rinse mouth.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Human Experience:
8 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 3300 mg/kg
(Moreno, 1973g)

oral-rat LD50 3300 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 99, 1975.

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 ethyl phenyl acetate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 110.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 20.00 (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: -6.00000
beverages(nonalcoholic): -2.40000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -5.20000
fruit ices: -5.20000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -8.10000
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 55 (FGE.55): Consideration of phenyl-substituted aliphatic alcohols and related aldehydes and esters evaluated by JECFA (63rd meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives evaluated by EFSA in FGE.15 (2005) (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 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):101-97-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7590
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
ethyl 2-phenylacetate
Chemidplus:0000101973
RTECS:AJ2824000 for cas# 101-97-3