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

ethyl 4-phenyl butyrate
ethyl 4-phenylbutyrate

Sponsors

Name:ethyl 4-phenylbutanoate
CAS Number: 10031-93-3Picture of molecule3D/inchi
FDA UNII:BU9R7P5U55
Nikkaji Web:J81.451B
MDL:MFCD00026923
CoE Number:307
XlogP3:3.10 (est)
Molecular Weight:192.25792000
Formula:C12 H16 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance 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:1458 ethyl 4-phenylbutyrate
FLAVIS Number:09.728 (Old)
DG SANTE Food Flavourings:09.728 ethyl 4-phenylbutyrate
FEMA Number:2453 ethyl 4-phenylbutyrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: ETHYL 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 oily liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 275.00 to 276.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.005000 mm/Hg @ 25.00 °C. (est)
Flash Point: 237.00 °F. TCC ( 113.89 °C. )
logP (o/w): 3.263 (est)
Soluble in:
 alcohol
 water, 44.15 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
sweet fruity plum
Odor Description:at 10.00 % in dipropylene glycol. sweet fruity plum
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
Ethyl 4-phenylbutyrate
BOC Sciences
For experimental / research use only.
Ethyl 4-phenylbutyrate 95%
Penta International
ETHYL-4-PHENYLBUTYRATE
Santa Cruz Biotechnology
For experimental / research use only.
Ethyl 4-phenylbutyrate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Ethyl 4-phenylbutyrate
TCI AMERICA
For experimental / research use only.
Ethyl 4-phenylbutyrate >98.0%(GC)
 
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: flavor and fragrance agents
Recommendation for ethyl 4-phenyl butyrate usage levels up to:
  2.0000 % in the fragrance concentrate.
 
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: --
beverages(nonalcoholic): 0.060001.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -0.06000
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 :61452
National Institute of Allergy and Infectious Diseases:Data
ethyl 4-phenylbutanoate
Chemidplus:0010031933
 
References:
 ethyl 4-phenylbutanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:10031-93-3
Pubchem (cid):61452
Pubchem (sid):135017165
 
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):HMDB31618
FooDB:FDB008256
Export Tariff Code:2916.39.7900
ChemSpider:View
 
Potential Blenders and core components note
For Odor
balsamic
ethyl cinnamate
FL/FR
guaiyl butyrate
FR
caramellic
maltyl isobutyrate
FL/FR
earthy
octyl phenyl acetate
FL/FR
floral
para-
anisyl butyrate
FL/FR
bois de rose oil brazil
FL/FR
citronellyl acetate
FL/FR
citronellyl formate
FL/FR
coranol (Firmenich)
FR
beta-
damascenone
FL/FR
dihydrolinalool
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
3,6-
dimethyl-3-octanol
FL/FR
ethyl linalool
FR
ethyl linalyl acetal
FR
ethyl linalyl acetate
FR
ethyl linalyl ether
FL/FR
ho leaf oil
FR
ho wood oil
FR
dextro-
linalool
FL/FR
laevo-
linalool
FL/FR
linalool
FL/FR
linalool oxide
FL/FR
linalyl anthranilate
FL/FR
petitgrain mandarin oil
FL/FR
phenethyl acetate
FL/FR
1-
phenyl propyl butyrate
FL/FR
propyl salicylate
FR
tetrahydrolinalool
FL/FR
fruity
iso
amyl propionate
FL/FR
apple crotonate
FR
apricot isobutyrate
FR
artemisia pallens herb oil
FL/FR
3-
benzyl-4-heptanone
FL/FR
butyl anthranilate
FL/FR
butyl formate
FL/FR
cyclohexyl acetate
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
dimethyl benzyl carbinyl isobutyrate
FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
fig crotonate
FR
hexyl formate
FL/FR
3-
phenyl propyl isovalerate
FL/FR
plum crotonate
FR
propyl isobutyrate
FL/FR
prune glycidate
FR
4-(para-
tolyl)-2-butanone
FL/FR
tropical indene
FR
tropical ionone
FL/FR
tropical thiazole
FL/FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
iso
amyl formate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
heptyl formate
FL/FR
1-
penten-3-ol
FL/FR
herbal
viridiflorol
FL/FR
powdery
para-
anisyl acetate
FL/FR
spicy
cubeb oil
FL/FR
sulfurous
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
passiflora acetate
FL/FR
tropical
tropical 3-thiobutyrate
FL/FR
woody
amber carbinol
FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
iso
amyl 3-methyl thiopropionate
FL
butyl formate
FL/FR
ethyl 3-octenoate
FL
ethyl linalyl ether
FL/FR
2-
hexenal
FL
dextro-
linalool
FL/FR
octyl phenyl acetate
FL/FR
1-
phenyl propyl butyrate
FL/FR
3-
phenyl propyl isovalerate
FL/FR
viridiflorol
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
beta-
damascone
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
anisic
para-
anisyl butyrate
FL/FR
balsamic
ethyl cinnamate
FL/FR
citrus
laevo-
linalool
FL/FR
linalool
FL/FR
petitgrain mandarin oil
FL/FR
fatty
heptyl formate
FL/FR
floral
bois de rose oil brazil
FL/FR
citronellyl acetate
FL/FR
dihydrolinalool
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
linalyl anthranilate
FL/FR
tetrahydrolinalool
FL/FR
tropical ionone
FL/FR
fruity
iso
amyl propionate
FL/FR
para-
anisyl acetate
FL/FR
artemisia pallens herb oil
FL/FR
3-
benzyl-4-heptanone
FL/FR
butyl anthranilate
FL/FR
citronellyl formate
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
methyl formate
FL
propyl isobutyrate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
green
iso
amyl formate
FL/FR
cassis pentanone
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
hexyl formate
FL/FR
linalool oxide
FL/FR
1-
penten-3-ol
FL/FR
herbal
3,6-
dimethyl-3-octanol
FL/FR
honey
phenethyl acetate
FL/FR
jammy
maltyl isobutyrate
FL/FR
solvent
cyclohexyl acetate
FL/FR
spicy
cubeb oil
FL/FR
sulfurous
buchu mercaptan
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical 3-thiobutyrate
FL/FR
tropical
passiflora acetate
FL/FR
vegetable
2-
octen-4-one
FL/FR
woody
beta-
damascenone
FL/FR
 
Potential Uses:
FRplum
FRprune
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzene butanoic acid ethyl ester
 benzenebutanoic acid, ethyl ester
 butyric acid, 4-phenyl- ethyl ester
 butyric acid, 4-phenyl-, ethyl ester
 ethyl 4-phenyl butanoate
 ethyl 4-phenyl-mutanoate
 ethyl 4-phenylbutanoate
 ethyl 4-phenylbutyrate
 ethyl benzene butanoate
 ethyl gamma-phenyl butyrate
 ethyl-4-phenylbutyrate
4-phenyl butanoic acid ethyl ester
 
 
Notes:
Flavouring ingredient
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