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ethyl 4-phenyl butyrate

Chemical Structure

General Material Information

Preferred name ethyl 4-phenyl butyrate
Trivial Name Ethyl 4-phenylbutanoate
Short Description ethyl 4-phenylbutyrate
Formula C12 H16 O2
CAS Number 10031-93-3
FEMA Number 2453
Flavis Number 9.728
FDA UNII BU9R7P5U55
Nikkaji Number J81.451B
MDL MFCD00026923
COE Number 307
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1458 ethyl 4-phenylbutyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 10031-93-3 ; ETHYL 4-PHENYLBUTYRATE
Synonyms
  • benzene butanoic acid ethyl ester
  • benzenebutanoic acid, ethyl ester
  • butyric acid, 4-phenyl- ethyl ester
  • butyric acid, 4-phenyl-, ethyl ester
  • ethyl 4-phenyl butanoate
  • ethyl 4-phenyl-mutanoate
  • ethyl 4-phenylbutanoate
  • ethyl 4-phenylbutyrate
  • ethyl benzene butanoate
  • ethyl gamma-phenyl butyrate
  • ethyl-4-phenylbutyrate
  • 4-phenyl butanoic acid ethyl ester
  • NSC 163318

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

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Perfumer & Flavorists Start search
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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):HMDB31618
FooDB:FDB008256
Export Tariff Code:2916.39.7900
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 192.25791931152
Boiling Point 275 to 276°C @ 760 mm Hg
Vapor Pressure 0.005 mmHg @ 25 °C
Flash Point TCC Value 113.89 °C TCC
logP (o/w) 3.263 est
Solubility
alcohol Yes
water, 44.15 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
sweet, fruity, plum
General comment At 10.00 % in dipropylene glycol. sweet fruity plum

Potential Uses

Applications
Odor purposes Plum, Prune

Safety Information

Safety information

Preferred SDS: View
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 ethyl 4-phenyl butyrate usage levels up to:
2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (μg/capita/day)
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: --
beverages(nonalcoholic): 0.060001.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -0.06000
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):

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

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61452
National Institute of Allergy and Infectious Diseases:Data
ethyl 4-phenylbutanoate
Chemidplus:0010031933