EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

methyl 4-phenyl butyrate
methyl 4-phenylbutyrate

Sponsors

Name:methyl 4-phenylbutanoate
CAS Number: 2046-17-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:218-067-1
FDA UNII:YMR11U800F
Nikkaji Web:J47.060K
MDL:MFCD00043756
CoE Number:308
XlogP3:2.80 (est)
Molecular Weight:178.23098000
Formula:C11 H14 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:1464 methyl 4-phenylbutyrate
FLAVIS Number:09.729 (Old)
DG SANTE Food Flavourings:09.729 methyl 4-phenylbutyrate
FEMA Number:2739 methyl 4-phenylbutyrate
FDA Mainterm: METHYL 4-PHENYLBUTYRATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.99600 to 1.00200 @ 25.00 °C.
Pounds per Gallon - (est).: 8.288 to 8.338
Refractive Index:1.48300 to 1.48900 @ 20.00 °C.
Boiling Point: 258.00 to 259.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.013000 mm/Hg @ 25.00 °C. (est)
Flash Point: 233.00 °F. TCC ( 111.67 °C. )
logP (o/w): 2.770
Soluble in:
 alcohol
 water, 242 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
sweet fruit dried fruit honey floral sweet
Odor Description:at 100.00 %. sweet fruit honey floral
Flavor Type: fruity
">fruity
Taste Description: fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Alfrebro
METHYL-4-PHENYL BUTYRATE
Odor: Sweet, Fruity, Powerful, Honey, Floral
BOC Sciences
For experimental / research use only.
Benzenebutanoic acid,methyl ester 99 %
Frinton Laboratories
For experimental / research use only.
Methyl 4-Phenylbutyrate
Penta International
METHYL-4-PHENYL BUTYRATE, Kosher
Sigma-Aldrich: Aldrich
For experimental / research use only.
Methyl 4-phenylbutanoate
 
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
 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
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
 
References:
 methyl 4-phenylbutanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2046-17-5
Pubchem (cid):281254
Pubchem (sid):135264735
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB36385
FooDB:FDB015263
Export Tariff Code:2915.60.0000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
For Flavor
No flavor group found for these
1-
acetyl cyclohexyl acetate
FL
iso
amyl 3-methyl thiopropionate
FL
amyl angelate
FL
2-
butyl thiophene
FL
2,4-
difurfuryl furan
FL
S-(2,5-
dimethyl-3-furyl) ethane thioate
FL
ethyl 3-octenoate
FL
burnt
burnt
ethyl 2-furoate
FL
fruity
2-
hexyl-4-acetoxytetrahydrofuran
FL
2-
phenyl-4-pentenal
FL
sour
2,4-
dimethyl-2-pentenoic acid
FL
sulfurous
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
 
Potential Uses:
 floral
 fruit tropical fruit
FLtropical
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 
 
Notes:
Flavouring ingredient
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