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methyl 4-phenyl butyrate

Chemical Structure

General Material Information

Preferred name methyl 4-phenyl butyrate
Trivial Name Methyl 4-phenylbutyrate
Short Description methyl 4-phenylbutyrate
Formula C11 H14 O2
CAS Number 2046-17-5
FEMA Number 2739
Flavis Number 9.729
ECHA Number 218-067-1
FDA UNII YMR11U800F
Nikkaji Number J47.060K
MDL MFCD00043756
COE Number 308
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1464 methyl 4-phenylbutyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 2046-17-5 ; METHYL 4-PHENYLBUTYRATE
Synonyms
  • benzene butanoic acid methyl ester
  • benzenebutanoic acid, methyl ester
  • butyric acid, 4-phenyl-, methyl ester
  • methyl 4-phenyl butanoate
  • methyl 4-phenylbutanoate
  • methyl 4-phenylbutyrate
  • methyl benzene butanoate
  • methyl gamma-phenyl butyrate
  • methyl-4-phenyl butyrate
  • 4-phenyl butyric acid methyl ester
  • 4-phenylbutyric acid methyl ester
  • NSC 133895
  • Methyl benzenebutanoate
  • 4-Phenylbutyric acid methyl ester

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):HMDB36385
FooDB:FDB015263
Export Tariff Code:2915.60.0000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 178.23098754883
Specific gravity @ 25 °C
Pounds per Gallon 8.288 to 8.338
Refractive Index 1.483 to 1.489 @ 20 °C
Boiling Point 258 to 259°C @ 760 mm Hg
Vapor Pressure 0.013 mmHg @ 25 °C
Flash Point TCC Value 111.67 °C TCC
logP (o/w) 2.77
Solubility
alcohol Yes
water, 242 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
sweet, fruit dried fruit, honey, floral
General comment At 100.00 %. sweet fruit honey floral
Flavor Type: Fruity
fruity
General comment Fruity

Potential Uses

Applications
Odor purposes Floral
Flavoring purposes Fruit tropical fruit, Tropical

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:
flavoring agents
Recommendation for methyl 4-phenyl butyrate usage levels up to:
not for fragrance use.
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: -1.40000
beverages(nonalcoholic): -0.56000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.52000
fruit ices: -0.52000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -1.60000
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):

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 :281254
National Institute of Allergy and Infectious Diseases:Data
methyl 4-phenylbutanoate
Chemidplus:0002046175