methyl 4-phenyl butyrate
methyl 4-phenylbutyrate
 
Notes:
Flavouring ingredient
  • Alfrebro
    • Alfrebro LLC
      Let's get reacquainted
      Building great taste with aroma chemicals, extracts, and distillates
      The Alfrebro brand was established in the early 1900s by Alex Fries & Brothers, a Cincinnati Flavor Company. In 1980, the brand was re-launched as an aroma chemical manufacturer. Since its inception, Alfrebro’s primary focus has been to provide quality natural and high value synthetic chemicals.
      Email: Sarah Forbis
      Email: Sales
      Voice: 513-539-3021
      Fax: 513-539-7372
      US Voice: 513-539-7373
      Newsroom
      Product(s):
      METHYL-4-PHENYL BUTYRATE
       
  • 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.
      US Email: Technical Services
      US Email: Sales
      US Voice: (973) 740-2300
      US Fax: (973) 740-1839
      Product(s):
      13-63000 METHYL-4-PHENYL BUTYRATE, Kosher
       
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methyl 4-phenylbutanoate (Click)
CAS Number: 2046-17-5Picture of molecule
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.
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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 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
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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
 fruity  
Taste Description:
fruity
  
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Cosmetic Information:
None found
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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
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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 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
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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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
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
(E)-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
isoamyl angelateFL/FR
 amyl angelateFL
2-butyl thiopheneFL
(Z)-beta-damasconeFL/FR
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
alpha-isomethyl ionone (90% min.)FL/FR
(E,E)-2,6-alloocimeneFL/FR
 phenethyl benzoateFL/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
 dimethyl benzyl carbinyl acetateFL/FR
 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
 butyl undecylenateFL/FR
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
 geraniolFL/FR
 methyl phenyl acetateFL/FR
 orris rhizome concrete butter (iris pallida)FL/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
 ethyl levulinateFL/FR
2-heptanolFL/FR
2-hexyl-4-acetoxytetrahydrofuranFL
 methoxymelonalFL/FR
 methyl (Z)-3-hexenoateFL/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)-beta-damasconeFL/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
 phenethyl propionateFL/FR
 phenyl acetaldehydeFL/FR
 propyl phenyl acetateFL/FR
jammy
 maltyl isobutyrateFL/FR
leafy
(E)-citronellyl tiglateFL/FR
 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
alpha-methyl iononeFL/FR
4-phenyl-3-buten-2-olFL/FR
woody
 methyl ionyl acetateFL/FR
 
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Potential Uses:
 floral 
 fruit tropical fruit 
 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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