methyl 4-phenyl butyrate
methyl 4-phenylbutyrate
 
Notes:
Flavouring ingredient
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      2046-17-5 Benzenebutanoic acid,methyl ester 99 %
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      13-63000 METHYL-4-PHENYL BUTYRATE
       
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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
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 (SATF):2046-17-5 ; 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.
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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 mmHg @ 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
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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).
 
 
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Cosmetic Information:
None found
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Suppliers:
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
Sigma-Aldrich: Aldrich
For experimental / research use only.
Methyl 4-phenylbutanoate
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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
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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: --
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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
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References:
 methyl 4-phenylbutanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 2046-17-5
Pubchem (cid): 281254
Pubchem (sid): 135264735
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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
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
balsamic
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
3-phenyl propyl acetateFL/FR
3-phenyl propyl alcoholFL/FR
caramellic
 immortelle absoluteFL/FR
 maltyl isobutyrateFL/FR
 propyl pyruvateFL/FR
chocolate
isobutyl phenyl acetateFL/FR
 tetrahydrofurfuryl phenyl acetateFL/FR
citrus
2-heptanolFL/FR
fatty
 butyl undecylenateFL/FR
4-ethyl octanoic acidFL/FR
 undecanal propylene glycol acetalFL/FR
fermented
 methyl decanoateFL/FR
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl formateFL/FR
 citronellyl acetateFL/FR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 ethyl hydrocinnamateFL/FR
 ethyl phenyl acetateFL/FR
 geraniolFL/FR
 geranyl phenyl acetateFL/FR
 hyacinth acetalsFL/FR
 methoxymelonalFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
3-nonanon-1-yl acetateFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 phenethyl acetateFL/FR
 phenethyl benzoateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl lactateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl propionateFL/FR
 phenyl acetaldehyde 2,3-butylene glycol acetalFL/FR
1-phenyl propyl butyrateFL/FR
3-phenyl propyl formateFL/FR
2-phenyl propyl isobutyrateFL/FR
4-phenyl-3-buten-2-olFL/FR
isopropyl anthranilateFL/FR
isopropyl benzoateFL/FR
 terpinyl valerateFL/FR
 tuberose absolute (from concrete)FL/FR
 tuberose absolute (from pommade)FL/FR
isoamyl propionateFL/FR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
 citronellyl isobutyrateFL/FR
beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
 ethyl levulinateFL/FR
 heptyl isobutyrateFL/FR
3-mercaptohexyl acetateFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl isobutyrateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
 propyl isobutyrateFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
4-(para-tolyl)-2-butanoneFL/FR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
1-penten-3-olFL/FR
 phenoxyethyl isobutyrateFL/FR
 phenyl acetaldehydeFL/FR
herbal
 viridiflorolFL/FR
honey
 allyl phenyl acetateFL/FR
 methyl hydrocinnamateFL/FR
 methyl phenyl acetateFL/FR
 phenyl acetic acidFL/FR
 propyl phenyl acetateFL/FR
powdery
alpha-methyl iononeFL/FR
spicy
para-anisyl formateFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
sulfurous
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
 passiflora acetateFL/FR
terpenic
(E,E)-2,6-alloocimeneFL/FR
tropical
 tropical 3-thiobutyrateFL/FR
waxy
 methyl butyl phenyl acetateFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
1-acetyl cyclohexyl acetateFL
isoamyl 3-methyl thiopropionateFL
 amyl angelateFL
isoamyl angelateFL/FR
2-butyl thiopheneFL
2,4-difurfuryl furanFL
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
 ethyl 3-octenoateFL
 ethyl hydrocinnamateFL/FR
 geranyl phenyl acetateFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
 methyl hydrocinnamateFL/FR
(E,E)-2,6-alloocimeneFL/FR
 phenethyl lactateFL/FR
 phenyl acetaldehyde 2,3-butylene glycol acetalFL/FR
1-phenyl propyl butyrateFL/FR
3-phenyl propyl formateFL/FR
2-phenyl propyl isobutyrateFL/FR
isopropyl anthranilateFL/FR
isopropyl benzoateFL/FR
 propyl pyruvateFL/FR
 tetrahydrofurfuryl phenyl acetateFL/FR
 undecanal propylene glycol acetalFL/FR
 viridiflorolFL/FR
isoamyl 3-(2-furan) propionateFL/FR
 benzyl acetoacetateFL/FR
isobutyl furyl propionateFL/FR
beta-damasconeFL/FR
alliaceous
 tropical thiazoleFL/FR
aromatic
 hyacinth acetalsFL/FR
balsamic
3-phenyl propyl acetateFL/FR
berry
 heptyl isobutyrateFL/FR
burnt
 ethyl 2-furoateFL
cocoa
isobutyl phenyl acetateFL/FR
ethereal
 methyl isobutyrateFL/FR
fatty
4-ethyl octanoic acidFL/FR
 methyl decanoateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
floral
 citronellyl acetateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 geraniolFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl phenyl acetateFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 phenethyl benzoateFL/FR
 phenethyl propionateFL/FR
 phenyl acetic acidFL/FR
 tropical iononeFL/FR
 tuberose absolute (from concrete)FL/FR
 tuberose absolute (from pommade)FL/FR
fruity
isoamyl propionateFL/FR
 benzyl acetateFL/FR
 benzyl formateFL/FR
isobutyl anthranilateFL/FR
 citronellyl butyrateFL/FR
 citronellyl isobutyrateFL/FR
(Z)-beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
 ethyl levulinateFL/FR
2-heptanolFL/FR
2-hexyl-4-acetoxytetrahydrofuranFL
 methoxymelonalFL/FR
 methyl (Z)-3-hexenoateFL/FR
alpha-methyl iononeFL/FR
3-nonanon-1-yl acetateFL/FR
 phenethyl isovalerateFL/FR
2-phenyl-4-pentenalFL
 propyl isobutyrateFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
 terpinyl valerateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
green
 cassis pentanoneFL/FR
(E)-citronellyl tiglateFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
 immortelle absoluteFL/FR
1-penten-3-olFL/FR
 phenoxyethyl isobutyrateFL/FR
honey
 allyl phenyl acetateFL/FR
 ethyl phenyl acetateFL/FR
 phenethyl acetateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl phenyl acetateFL/FR
 phenyl acetaldehydeFL/FR
 propyl phenyl acetateFL/FR
jammy
 maltyl isobutyrateFL/FR
leafy
 methyl butyl phenyl acetateFL/FR
sour
2,4-dimethyl-2-pentenoic acidFL
spicy
para-anisyl formateFL/FR
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
3-phenyl propyl alcoholFL/FR
sulfurous
 buchu mercaptanFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
 tropical 3-thiobutyrateFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
3-mercaptohexyl acetateFL/FR
 passiflora acetateFL/FR
vegetable
2-octen-4-oneFL/FR
waxy
 butyl undecylenateFL/FR
4-phenyl-3-buten-2-olFL/FR
woody
 methyl ionyl acetateFL/FR
 
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Potential Uses:
 floralFR
 fruit tropical fruitFL
 tropicalFL
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Occurrence (nature, food, other): note
 not found in nature
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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
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