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

ethyl 2-benzyl butyrate
ethyl 2-ethyl-3-phenylpropanoate

Sponsors

Name:ethyl 2-(phenylmethyl)butanoate
CAS Number: 2983-36-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:221-042-8
FDA UNII:339VVA8HGK
Nikkaji Web:J76.356J
CoE Number:10587
XlogP3-AA:3.30 (est)
Molecular Weight:206.28486000
Formula:C13 H18 O2
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:1475 ethyl 2-ethyl-3-phenylpropanoate
FLAVIS Number:09.802 (Old)
DG SANTE Food Flavourings:09.802 ethyl 2-ethyl-3-phenylpropionate
FEMA Number:3341 ethyl 2-ethyl-3-phenylpropanoate
FDA Mainterm: ETHYL 2-ETHYL-3-PHENYLPROPANOATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.97200 to 0.97900 @ 25.00 °C.
Pounds per Gallon - (est).: 8.088 to 8.146
Refractive Index:1.48300 to 1.48900 @ 20.00 °C.
Boiling Point: 72.00 °C. @ 0.09 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.005000 mm/Hg @ 25.00 °C. (est)
Flash Point: 219.00 °F. TCC ( 103.89 °C. )
logP (o/w): 3.790 (est)
Soluble in:
 alcohol
 water, 16.47 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
green floral
Odor Description:at 100.00 %. green floral
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Benzenepropanoic acid, a-ethyl-, ethyl ester
BOC Sciences
For experimental / research use only.
Ethyl 2-benzylbutyrate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
 
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 2-benzyl butyrate usage levels up to:
  3.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.90 (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: 6
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -5.00000
beverages(alcoholic): -25.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -5.00000
fruit ices: -5.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -50.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: -50.00000
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 Substance Registry Services (TSCA):2983-36-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62469
National Institute of Allergy and Infectious Diseases:Data
ethyl 2-(phenylmethyl)butanoate
Chemidplus:0002983360
 
References:
 ethyl 2-(phenylmethyl)butanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2983-36-0
Pubchem (cid):62469
Pubchem (sid):135019451
 
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):HMDB37194
FooDB:FDB016196
Export Tariff Code:2915.60.0000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
muguet undecadienal
FR
balsamic
cinnamyl formate
FL/FR
citrus
citral dimethyl acetal
FL/FR
(E)-4-
decenal
FL/FR
grapefruit pentanol
FR
ethereal
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
2-
decenal
FL/FR
floral
amyl benzoate
FL/FR
anisyl propanal / methyl anthranilate schiff's base
FR
alpha-
butyl cinnamaldehyde
FL/FR
citronellyl acetate
FL/FR
citronellyl propionate
FL/FR
cumin carbinol
FR
cuminyl acetaldehyde
FL/FR
dimethyl benzyl carbinol
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
6,8-
dimethyl-2-nonanol
FR
farnesyl acetate
FL/FR
floral butanal
FR
gardenia absolute
FR
geranium oil bourbon
FL/FR
geranyl acetone
FL/FR
geranyl isobutyrate
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal diethyl acetal
FL/FR
jasmin cyclopentanol
FR
jonquil absolute
FR
mimosa absolute france
FL/FR
neroli oil bigarde
FL/FR
(E)-
nerolidol
FL/FR
nerolidol
FL/FR
ocean propanal / methyl anthranilate schiff's base
FR
orange leaf absolute
FL/FR
papaya isobutyrate
FL/FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
2-
phenyl propionaldehyde ethylene glycol acetal
FR
rose butanoate
FL/FR
styralyl formate
FL/FR
sweet pea absolute
FR
terpinyl isobutyrate
FL/FR
verdyl acetate
FR
fruity
benzyl methyl ether
FL/FR
dimethyl succinate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
peach pivalate
FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
iso
butyl benzyl carbinol
FL/FR
chrysanthemum oxide
FL/FR
decanal propylene glycol acetal
FL/FR
earthy acetal
FL/FR
hyacinth absolute
FL/FR
ivy carbaldehyde / methyl anthranilate schiff's base
FR
ivy dioxolane
FR
methyl cyclocitrone (IFF)
FR
para-
methyl hydratropaldehyde
FL/FR
methyl octine carbonate
FL/FR
4-
methyl-4-phenyl pentanone
FR
octanal dimethyl acetal
FL/FR
octyl oxyacetaldehyde
FR
phenyl acetaldehyde
FL/FR
herbal
clary sage absolute
FL/FR
marine
marine hexane
FR
waxy
3-
decanone
FL/FR
For Flavor
No flavor group found for these
amyl benzoate
FL/FR
decanal propylene glycol acetal
FL/FR
3-
decanone
FL/FR
earthy acetal
FL/FR
hyacinth absolute
FL/FR
styralyl formate
FL/FR
terpinyl isobutyrate
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
alpha-
butyl cinnamaldehyde
FL/FR
amber
amber
iso
butyl benzyl carbinol
FL/FR
citrus
citral dimethyl acetal
FL/FR
cucumber
2-
ethyl octine carbonate
FL
fatty
2-
decenal
FL/FR
floral
citronellyl acetate
FL/FR
citronellyl propionate
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
farnesyl acetate
FL/FR
geranium oil bourbon
FL/FR
geranyl acetone
FL/FR
geranyl isobutyrate
FL/FR
neroli oil bigarde
FL/FR
orange leaf absolute
FL/FR
fruity
benzyl methyl ether
FL/FR
dimethyl succinate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
rose butanoate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
green
chrysanthemum oxide
FL/FR
clary sage absolute
FL/FR
cuminyl acetaldehyde
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
methyl 2-undecynoate
FL
para-
methyl hydratropaldehyde
FL/FR
methyl octine carbonate
FL/FR
(E)-
nerolidol
FL/FR
nerolidol
FL/FR
octanal dimethyl acetal
FL/FR
papaya isobutyrate
FL/FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
honey
phenyl acetaldehyde
FL/FR
medicinal
dimethyl benzyl carbinol
FL/FR
melon
hydroxycitronellal diethyl acetal
FL/FR
ripe
(E)-4-
decenal
FL/FR
spicy
cinnamyl formate
FL/FR
waxy
alpha-
hexyl cinnamaldehyde
FL/FR
mimosa absolute france
FL/FR
 
Potential Uses:
FRfloral
FRgreen
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzenepropanoic acid, a-ethyl-, ethyl ester
 ethyl 2-(phenylmethyl)butanoate
 ethyl 2-benzyl butanoate
 ethyl 2-benzylbutanoate
 ethyl 2-benzylbutyrate
 ethyl 2-ethyl benzene propanoate
 ethyl 2-ethyl dihydrocinnamate
 ethyl 2-ethyl-3-phenyl propanoate
 ethyl 2-ethyl-3-phenylpropanoate
 ethyl 2-ethyl-3-phenylpropionate
 ethyl alpha-ethyl benzene propanoate
 ethyl alpha-ethyl hydrocinnamate
alpha-ethyl benzene propanoic acid ethyl ester
 
 
Notes:
Flavouring ingredient
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