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:No longer provide for the use of these seven synthetic flavoring substances
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
No odor group found for these
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-one
FL/FR
balsamic
balsamic
benzyl cinnamate
FL/FR
cinnamyl formate
FL/FR
3-
phenyl propyl acetate
FL/FR
3-
phenyl propyl alcohol
FL/FR
caramellic
immortelle absolute
FL/FR
maltyl isobutyrate
FL/FR
propyl pyruvate
FL/FR
chocolate
iso
butyl phenyl acetate
FL/FR
tetrahydrofurfuryl phenyl acetate
FL/FR
citrus
2-
heptanol
FL/FR
fatty
butyl undecylenate
FL/FR
4-
ethyl octanoic acid
FL/FR
undecanal propylene glycol acetal
FL/FR
fermented
methyl decanoate
FL/FR
floral
iso
amyl angelate
FL/FR
alpha-
amyl cinnamaldehyde
FL/FR
benzyl acetate
FL/FR
benzyl acetoacetate
FL/FR
benzyl formate
FL/FR
citronellyl acetate
FL/FR
citronellyl butyrate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
(E)-
citronellyl tiglate
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
ethyl hydrocinnamate
FL/FR
ethyl phenyl acetate
FL/FR
geraniol
FL/FR
geranyl phenyl acetate
FL/FR
hyacinth acetals
FL/FR
methoxymelonal
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
methyl ionyl acetate
FL/FR
3-
nonanon-1-yl acetate
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
phenethyl acetate
FL/FR
phenethyl benzoate
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl isovalerate
FL/FR
phenethyl lactate
FL/FR
phenethyl phenyl acetate
FL/FR
phenethyl propionate
FL/FR
phenyl acetaldehyde 2,3-butylene glycol acetal
FL/FR
1-
phenyl propyl butyrate
FL/FR
3-
phenyl propyl formate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
iso
propyl anthranilate
FL/FR
iso
propyl benzoate
FL/FR
terpinyl valerate
FL/FR
tuberose absolute (from concrete)
FL/FR
tuberose absolute (from pommade)
FL/FR
fruity
iso
amyl propionate
FL/FR
iso
butyl anthranilate
FL/FR
iso
butyl furyl propionate
FL/FR
citronellyl isobutyrate
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
ethyl levulinate
FL/FR
heptyl isobutyrate
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl (Z)-3-hexenoate
FL/FR
methyl isobutyrate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
propyl isobutyrate
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
tropical ionone
FL/FR
tropical thiazole
FL/FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
1-
penten-3-ol
FL/FR
phenoxyethyl isobutyrate
FL/FR
phenyl acetaldehyde
FL/FR
herbal
viridiflorol
FL/FR
honey
allyl phenyl acetate
FL/FR
methyl hydrocinnamate
FL/FR
methyl phenyl acetate
FL/FR
phenyl acetic acid
FL/FR
propyl phenyl acetate
FL/FR
powdery
alpha-
methyl ionone
FL/FR
spicy
para-
anisyl formate
FL/FR
(E)-para-
methoxycinnamaldehyde
FL/FR
sulfurous
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
passiflora acetate
FL/FR
terpenic
(E,E)-2,6-allo
ocimene
FL/FR
tropical
tropical 3-thiobutyrate
FL/FR
waxy
methyl butyl phenyl acetate
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
1-
acetyl cyclohexyl acetate
FL
iso
amyl 3-methyl thiopropionate
FL
amyl angelate
FL
iso
amyl angelate
FL/FR
2-
butyl thiophene
FL
2,4-
difurfuryl furan
FL
S-(2,5-
dimethyl-3-furyl) ethane thioate
FL
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-one
FL/FR
ethyl 3-octenoate
FL
ethyl hydrocinnamate
FL/FR
geranyl phenyl acetate
FL/FR
(E)-para-
methoxycinnamaldehyde
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
methyl hydrocinnamate
FL/FR
(E,E)-2,6-allo
ocimene
FL/FR
phenethyl lactate
FL/FR
phenyl acetaldehyde 2,3-butylene glycol acetal
FL/FR
1-
phenyl propyl butyrate
FL/FR
3-
phenyl propyl formate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
iso
propyl anthranilate
FL/FR
iso
propyl benzoate
FL/FR
propyl pyruvate
FL/FR
tetrahydrofurfuryl phenyl acetate
FL/FR
undecanal propylene glycol acetal
FL/FR
viridiflorol
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
benzyl acetoacetate
FL/FR
iso
butyl furyl propionate
FL/FR
beta-
damascone
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
aromatic
hyacinth acetals
FL/FR
balsamic
3-
phenyl propyl acetate
FL/FR
berry
heptyl isobutyrate
FL/FR
burnt
ethyl 2-furoate
FL
cocoa
iso
butyl phenyl acetate
FL/FR
ethereal
methyl isobutyrate
FL/FR
fatty
4-
ethyl octanoic acid
FL/FR
methyl decanoate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
floral
citronellyl acetate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geraniol
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
methyl phenyl acetate
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
phenethyl benzoate
FL/FR
phenethyl propionate
FL/FR
phenyl acetic acid
FL/FR
tropical ionone
FL/FR
tuberose absolute (from concrete)
FL/FR
tuberose absolute (from pommade)
FL/FR
fruity
iso
amyl propionate
FL/FR
benzyl acetate
FL/FR
benzyl formate
FL/FR
iso
butyl anthranilate
FL/FR
citronellyl butyrate
FL/FR
citronellyl isobutyrate
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
ethyl levulinate
FL/FR
2-
heptanol
FL/FR
2-
hexyl-4-acetoxytetrahydrofuran
FL
methoxymelonal
FL/FR
methyl (Z)-3-hexenoate
FL/FR
alpha-
methyl ionone
FL/FR
3-
nonanon-1-yl acetate
FL/FR
phenethyl isovalerate
FL/FR
2-
phenyl-4-pentenal
FL
propyl isobutyrate
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
terpinyl valerate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
green
cassis pentanone
FL/FR
(E)-
citronellyl tiglate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
immortelle absolute
FL/FR
1-
penten-3-ol
FL/FR
phenoxyethyl isobutyrate
FL/FR
honey
allyl phenyl acetate
FL/FR
ethyl phenyl acetate
FL/FR
phenethyl acetate
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl phenyl acetate
FL/FR
phenyl acetaldehyde
FL/FR
propyl phenyl acetate
FL/FR
jammy
maltyl isobutyrate
FL/FR
leafy
methyl butyl phenyl acetate
FL/FR
sour
2,4-
dimethyl-2-pentenoic acid
FL
spicy
para-
anisyl formate
FL/FR
benzyl cinnamate
FL/FR
cinnamyl formate
FL/FR
3-
phenyl propyl alcohol
FL/FR
sulfurous
buchu mercaptan
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical 3-thiobutyrate
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
3-
mercaptohexyl acetate
FL/FR
passiflora acetate
FL/FR
vegetable
2-
octen-4-one
FL/FR
waxy
butyl undecylenate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
woody
methyl ionyl acetate
FL/FR
 
Potential Uses:
FRfloral
 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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