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phenethyl propionate

Chemical Structure

General Material Information

Preferred name phenethyl propionate
Trivial Name Phenylethyl propionate
Short Description propanoic acid, 2-phenylethyl ester
Formula C11 H14 O2
CAS Number 122-70-3
FEMA Number 2867
ECHA Number 204-567-7
FDA UNII 9VFI60EUHW
Nikkaji Number J53.891D
Beilstein Number 2097455
MDL MFCD00027008
COE Number 418
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 990 phenethyl propionate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 122-70-3 ; PHENETHYL PROPIONATE
Synonyms
  • benzcarbinyl propionate
  • benzyl carbinyl propionate
  • benzylcarbinyl propionate
  • japanese beetle bait
  • phenethyl alcohol propionate
  • phenethyl alcohol, propionate
  • phenethyl popanoate
  • 2-phenethyl propionate
  • phenyl ethyl alcohol propionate
  • 2-phenyl ethyl propanoate
  • phenyl ethyl propionate
  • 2-phenyl ethyl propionate
  • phenyl ethyl propionate natural
  • phenylethanol propanoate
  • phenylethyl propanoate
  • 2-phenylethyl propanoate
  • phenylethyl-propionate
  • propanoic acid 2-phenethyl ester
  • propanoic acid 2-phenyl ethyl ester
  • propanoic acid, 2-phenylethyl ester
  • propionic acid 2-phenylethyl ester
  • propionic acid phenethyl ester
  • propionic acid phenyl ethyl ester
  • propionic acid, 2-phenylethyl ester
  • propionic acid, phenethyl ester
  • 2-phenylethyl propanoate
  • Phenylethyl propionate
  • 2-Phenethyl propionate
  • 2-Phenylethyl propionate
  • β-Phenylethyl propionate
  • Phenethyl propanoate
  • NSC 404457
  • EcoPCO ACU

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):HMDB35013
FooDB:FDB013618
Export Tariff Code:2915.50.2000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 178.23098754883
Specific gravity @ 25 °C
Pounds per Gallon 8.404 to 8.496
Specific gravity @ 20 °C
Pounds per Gallon 8.414 to 8.481
Refractive Index 1.489 to 1.499 @ 20 °C
Boiling Point 244 to 245°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.02 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 2.808 est
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
dipropylene glycol Yes
paraffin oil Yes
propylene glycol Yes
water, 136 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Floral
floral, rose red rose, fruity, honey, balsamic, storax
Odor strength medium
Substantivity 96 hour(s) at 100.00 %
Luebke, William tgsc, (1983) At 100.00 %. floral red rose fruity honey balsam storax
Flavor Type: Floral
floral, balsamic, green, honey, sweet, rose, tropical
Luebke, William tgsc, (1983) Floral balsamic green honey sweet rose tropical
General comment Sweet, balsamic

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 36 - Wear suitable protective clothing.
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:
gavage-rat LD50 [sex: M,F] 3980 mg/kg
5 Test substance administered as phenethyl propionate and eugenol, in a 7:3 ratio.
(Beroza et al., 1975)

oral-rat LD50 4000 mg/kg
(Moreno, 1973f)

oral-rat LD50 4000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 963, 1974.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 963, 1974.

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 phenethyl propionate usage levels up to:
20.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.97 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 3.00 (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: -16.00000
beverages(nonalcoholic): -3.60000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -11.00000
fruit ices: -11.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -12.00000
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):122-70-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :31225
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-phenylethyl propanoate
Chemidplus:0000122703
RTECS:UF6488000 for cas# 122-70-3