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3-phenyl propyl acetate

Chemical Structure

General Material Information

Preferred name 3-phenyl propyl acetate
Trivial Name 3-Phenylpropyl acetate
Short Description 3-phenylpropyl acetate
Formula C11 H14 O2
CAS Number 122-72-5
FEMA Number 2890
Flavis Number 9.032
ECHA Number 204-569-8
FDA UNII AKW166708I
Nikkaji Number J5.534D
Beilstein Number 0744307
MDL MFCD00026216
COE Number 222
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 638 3-phenylpropyl acetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 122-72-5 ; 3-PHENYLPROPYL ACETATE
Synonyms
  • acetato 3-fenil propile
  • acetic acid 3-phenylpropyl ester
  • 3-acetoxy-1-phenyl propane
  • 3-acetoxy-1-phenylpropane
  • 1-acetoxy-3-phenyl propane
  • 1-acetoxy-3-phenylpropane
  • (3-acetoxypropyl) benzene
  • (3-acetoxypropyl)benzene
  • benzene propanol acetate
  • benzenepropanol acetate
  • benzenepropanol, acetate
  • benzenepropyl acetate
  • dihydrocinnamic acetate
  • hydrocinnamyl acetate
  • phenyl propyl acetate
  • 3-phenyl propyl acetate
  • beta- phenyl propyl acetate
  • phenyl propyl acetate FCC
  • 3-phenyl-1-propanol acetate
  • 3-phenyl-1-propanol, acetate
  • 3-phenyl-1-propyl acetate
  • phenyl-3-propyl-acetate
  • 3-phenylpropyl acetate
  • 3-phenylpropyl acetate FCC
  • 3-phenylpropyl acetate natural
  • 1-propanol, 3-phenyl-, acetate
  • Benzenepropanol, 1-acetate
  • 1-Propanol, 3-phenyl-, acetate
  • 3-Acetoxy-1-phenylpropane
  • γ-Phenylpropyl acetate
  • 3-Phenylpropyl acetate
  • (3-Acetoxypropyl)benzene
  • 1-Acetoxy-3-phenylpropane
  • 3-Phenyl-1-propanol acetate
  • 3-Phenyl-1-propyl acetate
  • NSC 404453

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

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Literature & References

3-phenylpropyl acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:122-72-5
Pubchem (cid):31226
Pubchem (sid):134974049
Pherobase:View
Publications by PubMed
Characterization of odor-active compounds in guava wine.
Toxicity of cassia and cinnamon oil compounds and cinnamaldehyde-related compounds to Sitophilus oryzae (Coleoptera: Curculionidae).

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
CHEBI:View
KEGG (GenomeNet):C17663
HMDB (The Human Metabolome Database):HMDB33386
FooDB:FDB011417
Export Tariff Code:2915.39.3500
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 178.23098754883
Specific gravity @ 25 °C
Pounds per Gallon 8.421 to 8.454
Specific gravity @ 20 °C
Pounds per Gallon 8.431 to 8.497
Refractive Index 1.494 to 1.5 @ 20 °C
Boiling Point 244 to 245°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.011 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 2.847 est
Solubility
alcohol Yes
water, 136 mg/L @ 25 °C (est) Yes
water No
Stability
cream Unspecified
hair spray Unspecified
lotion Unspecified
non-discoloring in most media Unspecified
powder Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Balsamic
sweet, balsamic, storax, spicy, cinnamon, cinnamyl, fruity, honey, hay
Odor strength medium
Substantivity 268 hour(s) at 100.00 %
Luebke, William tgsc, (1985) At 100.00 %. sweet balsam storax spicy cinnamon
Mosciano, Gerard P&F 20, No. 6, 49, (1995) Balsamic, spicy, cinnamic and fruity with honey and hay-like nuances
Flavor Type: Balsamic
balsamic, floral, fruity, sappy, spicy, cinnamyl, powdery
Mosciano, Gerard P&F 20, No. 6, 49, (1995) At 10.00 ppm. Balsamic, floral, fruity, sappy, spicy and cinnamic with powdery nuances

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)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Human Experience:
8 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 4700 mg/kg
Confidence limits of 3840-5560 mg/kg bw, 4 dose groups (2220-7500 mg/kg bw) of 10 animals, only summary available.
(Moreno, 1973j)

oral-rat LD50 4700 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 965, 1974.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 965, 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 3-phenyl propyl acetate usage levels up to:
15.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 35.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 9.00 (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: -6.30000
beverages(nonalcoholic): -3.20000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -10.00000
condiments / relishes: -0.10000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -4.80000
fruit ices: -4.80000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -4.60000
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 15 (FGE.15): Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 15, Revision 1 (FGE.15Rev1) - Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 68 (FGE.68): Consideration of cinnamyl alcohol and related flavouring agents evaluated by JECFA (55th meeting) evaluated by EFSA in FGE.15Rev1 (2008)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):122-72-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :31226
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3-phenylpropyl acetate
Chemidplus:0000122725
RTECS:UB9000000 for cas# 122-72-5