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butyl phenyl acetate
butyl phenylacetate

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Fragrance Demo Formulas
Flavor Demo Formulas
Name:butyl 2-phenylacetate
CAS Number: 122-43-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:204-543-6
FDA UNII:TR6RZ109SI
Nikkaji Web:J74.784J
Beilstein Number:2046682
MDL:MFCD00048774
CoE Number:2159
XlogP3:3.20 (est)
Molecular Weight:192.25792000
Formula:C12 H16 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:1012 butyl phenylacetate
FLAVIS Number:09.787 (Old)
DG SANTE Food Flavourings:09.787 butyl phenylacetate
FEMA Number:2209 butyl phenylacetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: BUTYL PHENYLACETATE
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 to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: Yes
Specific Gravity:0.99000 to 0.99700 @ 25.00 °C.
Pounds per Gallon - (est).: 8.238 to 8.296
Refractive Index:1.48600 to 1.49300 @ 20.00 °C.
Boiling Point: 133.00 to 135.00 °C. @ 15.00 mm Hg
Boiling Point: 258.00 to 260.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.011000 mm/Hg @ 25.00 °C. (est)
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 3.439 (est)
Soluble in:
 alcohol
 water, 44.15 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl phenyl acetate
amyl phenyl acetate
isoamyl phenyl acetate
para-anisyl phenyl acetate
benzyl phenyl acetate
isobornyl phenyl acetate
isobutyl phenyl acetate
cinnamyl phenyl acetate
citronellyl phenyl acetate
meta-cresyl phenyl acetate
para-cresyl phenyl acetate
cyclohexyl phenyl acetate
dimethyl octanyl phenyl acetate
ethyl phenyl acetate
eugenyl phenyl acetate
isoeugenyl phenyl acetate
furfuryl phenyl acetate
geranyl phenyl acetate
guaiacyl phenyl acetate
heptyl phenyl acetate
(E)-2-hexen-1-yl phenyl acetate
(Z)-3-hexen-1-yl phenyl acetate
hexyl phenyl acetate
linalyl phenyl acetate
menthyl phenyl acetate
laevo-menthyl phenyl acetate
methyl butyl phenyl acetate
methyl phenyl acetate
neryl phenyl acetate
nonyl phenyl acetate
octyl phenyl acetate
phenethyl phenyl acetate
phenyl propyl phenyl acetate
propyl 4-tert-butyl phenyl acetate
propyl phenyl acetate
isopropyl phenyl acetate
rhodinyl phenyl acetate
santalyl phenyl acetate
tetrahydrofurfuryl phenyl acetate
 
Organoleptic Properties:
Odor Type: honey
Odor Strength:medium
Substantivity:348 hour(s) at 100.00 %
rose honey chocolate
Odor Description:at 100.00 %. rose honey chocolate
Luebke, William tgsc, (1988)
Odor sample from: Givaudan Corporation
honey sweet floral cocoa hay
Odor Description:Honey, sweet, floral, cocoa and hay-like
Mosciano, Gerard P&F 17, No. 4, 33, (1992)
Flavor Type: honey
honey sweet chocolate floral rose
Taste Description: at 5.00 ppm. Honey, sweet, chocolate, floral and rose-like
Mosciano, Gerard P&F 17, No. 4, 33, (1992)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
Butyl Phenylacetate
Grau Aromatics
BUTYL-PHENYLACETATE FCC
NI, Kosher
Inoue Perfumery
BUTYL PHENYL ACETATE
Lluch Essence
N-BUTYL PHENYL ACETATE
M&U International
NAT. BUTYL PHENYLACETATE
Naturamole
butyl phenylacetate 98% natural EU
Penta International
BUTYL PHENYLACETATE FCC, Kosher
Sigma-Aldrich
Butyl phenylacetate, ≥98%, FCC, FG
Odor: honey; rose
Certified Food Grade Products
SRS Aromatics
BUTYL PHENYL ACETATE
Odor: Honey, Sweet, Floral, Cocoa, Hay
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
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.
Human Experience:
12 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
(Moreno, 1980i)

oral-rat LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 21, Pg. 657, 1983.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 21, Pg. 657, 1983.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for butyl phenyl acetate usage levels up to:
  12.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 2.40 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 3.00 (μg/capita/day)
Structure Class: I
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: -4.60000
beverages(nonalcoholic): -0.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.10000
fruit ices: -2.10000
gelatins / puddings: -5.00000
granulated sugar: --
gravies: --
hard candy: -4.50000
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to: Flavouring Group Evaluation 14 (FGE.14): Phenethyl alcohol, aldehyde, esters, and related phenylacetic acid esters from chemical group 15 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 53 (FGE.53): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and one phenoxyethyl ester evaluated in FGE.23 (2006) (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

Flavouring Group Evaluation 14, Revision 1 (FGE.14Rev1): Phenethyl alcohol, aldehyde, acetals, carboxylic acid and related esters from chemical group 15 and 22 [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 53, Revision 1 (FGE.53Rev1): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) FGE.23Rev1 (2008)
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):122-43-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :31210
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
butyl 2-phenylacetate
Chemidplus:0000122430
RTECS:AJ2480000 for cas# 122-43-0
 
References:
 butyl 2-phenylacetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:122-43-0
Pubchem (cid):31210
Pubchem (sid):134973882
 
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):HMDB40427
FooDB:FDB020160
Export Tariff Code:2916.35.1500
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
animal
para-
cresyl phenyl acetate
FL/FR
balsamic
2-
acetyl furan
FL/FR
amyl cinnamate
FL/FR
iso
amyl cinnamate
FL/FR
amyl phenyl acetate
FL/FR
butyl cinnamate
FL/FR
methyl cinnamate
FL/FR
prenyl benzoate
FL/FR
caramellic
fenugreek oleoresin
FL/FR
cereal
bran absolute
FR
chocolate
iso
amyl phenyl acetate
FL/FR
iso
butyl phenyl acetate
FL/FR
chocolate pyrazine A
FL/FR
cocoa hexenal
FL/FR
cocoa oleoresin
FL/FR
cocoa pentenal
FL/FR
2,6-
dimethyl pyrazine
FL/FR
2,5-
dimethyl pyrazine
FL/FR
2-
methoxypyrazine
FL/FR
2-
methyl butyraldehyde
FL/FR
tetrahydrofurfuryl phenyl acetate
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
cocoa
2-iso
butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR
earthy
octyl phenyl acetate
FL/FR
ethereal
iso
propyl formate
FL/FR
fermented
3-
methyl-1-pentanol
FL/FR
valeraldehyde
FL/FR
floral
alpha-
amyl cinnamaldehyde
FL/FR
alpha-
amyl cinnamyl acetate
FL/FR
amyl salicylate
FL/FR
benzyl phenyl acetate
FL/FR
bois de rose oil brazil
FL/FR
citronellol
FL/FR
citronellyl isovalerate
FL/FR
citronellyl phenyl acetate
FL/FR
coranol (Firmenich)
FR
dihydrolinalool
FL/FR
dimethyl octanol
FL/FR
3,6-
dimethyl-3-octanol
FL/FR
ethyl hydrocinnamate
FL/FR
ethyl linalool
FR
ethyl linalyl acetal
FR
ethyl linalyl acetate
FR
ethyl linalyl ether
FL/FR
ethyl phenyl acetate
FL/FR
genet concrete
FR
geraniol
FL/FR
geranyl acetone
FL/FR
geranyl phenyl acetate
FL/FR
geranyl propionate
FL/FR
ho leaf oil
FR
ho wood oil
FR
linalool
FL/FR
laevo-
linalool
FL/FR
dextro-
linalool
FL/FR
linalool oxide
FL/FR
linalyl anthranilate
FL/FR
linalyl phenyl acetate
FL/FR
methyl citronellate
FL/FR
muguet carbinol
FL/FR
neryl acetate
FL/FR
neryl phenyl acetate
FR
octyl isovalerate
FL/FR
phenethyl acetate
FL/FR
phenethyl phenyl acetate
FL/FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
rhodinol
FL/FR
rosa alba flower oil CO2 extract
FR
rose absolute (rosa centifolia)
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
rose butanoate
FL/FR
rose carboxylate
FR
rose oil (rosa centifolia) egypt
FL/FR
rose oil (rosa damascena) iran
FL/FR
rose oil (rosa damascena) turkey
FL/FR
tetrahydrolinalool
FL/FR
fruity
(E)-beta-
damascenone
FL/FR
beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
phenoxyethyl propionate
FL/FR
green
butyl 2-methyl butyrate
FL/FR
3,7-
dimethyl-6-octenoic acid
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
phenoxyethyl isobutyrate
FL/FR
phenyl acetaldehyde
FL/FR
hay
new mown hay fragrance
FR
herbal
geranium cyclohexane
FR
lavender concrete
FL/FR
tricyclodecenyl isobutyrate
FR
gamma-
valerolactone
FL/FR
honey
phenethyl furoate
FL/FR
phenyl acetic acid
FL/FR
musty
cocoa butenal
FL/FR
nutty
3,6-
cocoa pyrazine
FL/FR
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
2,6-
lutidine
FL/FR
2-
methyl pyrazine
FL/FR
2,3,5,6-
tetramethyl pyrazine
FL/FR
2,3,5-
trimethyl pyrazine
FL/FR
vinyl sulfurol
FL/FR
popcorn
2-
acetyl pyrazine
FL/FR
powdery
dibenzyl ketone
FL/FR
roasted
fenugreek resinoid
FL/FR
spicy
alpha-
amyl cinnamyl alcohol
FL/FR
cubeb oil
FL/FR
iso
eugenyl phenyl acetate
FL/FR
sweet
vanilla oleoresin bali
FL/FR
tea
camellia oleifera leaf extract
FL/FR
vanilla
ethyl vanillin isobutyrate
FL/FR
vanillin
FL/FR
vanillyl isobutyrate
FL/FR
waxy
dihydrocitronellyl acetate
FL/FR
phenethyl octanoate
FL/FR
waxy acetate
FR
For Flavor
No flavor group found for these
amyl phenyl acetate
FL/FR
butyl 2-methyl butyrate
FL/FR
butyl cinnamate
FL/FR
2-iso
butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR
2(4)-iso
butyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
FL
chocolate pyrazine A
FL/FR
chocolate pyrazine B
FL
citronellyl isovalerate
FL/FR
(E)-beta-
damascenone
FL/FR
dihydrocitronellyl acetate
FL/FR
4,5-
dimethyl-2-ethyl thiazole
FL
ethyl hydrocinnamate
FL/FR
ethyl linalyl ether
FL/FR
dextro-
linalool
FL/FR
linalyl phenyl acetate
FL/FR
2-
methoxypyrazine
FL/FR
octyl isovalerate
FL/FR
octyl phenyl acetate
FL/FR
peanut dithiazine
FL
phenethyl furoate
FL/FR
prenyl benzoate
FL/FR
2-iso
propyl-4-methyl-3-thiazoline
FL
tetrahydrofurfuryl phenyl acetate
FL/FR
beta-
damascone
FL/FR
aromatic
aromatic
amyl salicylate
FL/FR
balsamic
amyl cinnamate
FL/FR
bitter
dibenzyl ketone
FL/FR
methyl ethoxypyrazine
FL
brown
fenugreek oleoresin
FL/FR
caramellic
fenugreek resinoid
FL/FR
chocolate
cocoa oleoresin
FL/FR
cocoa propanal
FL
citrus
bergamot oil bergaptene reduced italy
FL/FR
linalool
FL/FR
laevo-
linalool
FL/FR
cocoa
iso
butyl phenyl acetate
FL/FR
butyraldehyde
FL
cocoa hexenal
FL/FR
2-
methyl furan
FL
earthy
alpha-
amyl cinnamyl acetate
FL/FR
fatty
dimethyl octanol
FL/FR
floral
iso
amyl cinnamate
FL/FR
iso
amyl phenyl acetate
FL/FR
bois de rose oil brazil
FL/FR
citronellol
FL/FR
citronellyl phenyl acetate
FL/FR
cocoa pentenal
FL/FR
dihydrolinalool
FL/FR
3,7-
dimethyl-6-octenoic acid
FL/FR
geraniol
FL/FR
geranyl acetone
FL/FR
geranyl phenyl acetate
FL/FR
linalyl anthranilate
FL/FR
methyl citronellate
FL/FR
muguet carbinol
FL/FR
neryl acetate
FL/FR
phenyl acetic acid
FL/FR
rhodinol
FL/FR
rose absolute (rosa centifolia)
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
rose oil (rosa centifolia) egypt
FL/FR
rose oil (rosa damascena) iran
FL/FR
rose oil (rosa damascena) turkey
FL/FR
tetrahydrolinalool
FL/FR
fruity
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
phenethyl octanoate
FL/FR
iso
propyl formate
FL/FR
rose butanoate
FL/FR
fusel
2-
methyl butyraldehyde
FL/FR
green
cocoa butenal
FL/FR
2-
ethyl butyraldehyde
FL
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
linalool oxide
FL/FR
phenoxyethyl isobutyrate
FL/FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
herbal
3,6-
dimethyl-3-octanol
FL/FR
lavender concrete
FL/FR
honey
benzyl phenyl acetate
FL/FR
ethyl phenyl acetate
FL/FR
phenethyl acetate
FL/FR
phenethyl phenyl acetate
FL/FR
phenyl acetaldehyde
FL/FR
musty
2,5-
dimethyl pyrazine
FL/FR
propionaldehyde
FL
2,3,5-
trimethyl pyrazine
FL/FR
nutty
2-
acetyl furan
FL/FR
3,6-
cocoa pyrazine
FL/FR
2,6-
dimethyl pyrazine
FL/FR
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
2,4-
dimethyl-5-vinyl thiazole
FL
2,6-
lutidine
FL/FR
2-
methyl pyrazine
FL/FR
2,3,5,6-
tetramethyl pyrazine
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
vinyl sulfurol
FL/FR
phenolic
para-
cresyl phenyl acetate
FL/FR
roasted
2-
acetyl pyrazine
FL/FR
spicy
alpha-
amyl cinnamyl alcohol
FL/FR
cubeb oil
FL/FR
iso
eugenyl phenyl acetate
FL/FR
methyl cinnamate
FL/FR
sweet
vanilla oleoresin bali
FL/FR
tea
camellia oleifera leaf extract
FL/FR
tonka
gamma-
valerolactone
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
vanilla
ethyl vanillin isobutyrate
FL/FR
vanillin
FL/FR
vanillyl isobutyrate
FL/FR
waxy
geranyl propionate
FL/FR
phenoxyethyl propionate
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
winey
valeraldehyde
FL/FR
 
Potential Uses:
FRbalsam
FRcarnation
FRchocolate
 chocolate cocoa
FRcivet
FRclover
 depth
FRfern
FRfruit
FRhay new mown hay
FRhoney
FRhyacinth
 ideal
FRmaple
FRnarcissus
FRorchid
FRoriental
FRrose
FLtea
FRtobacco
FRwoody
 
Occurrence (nature, food, other):note
 osmanthus absolute @ 0.12%
Data GC Search Trop Picture
 
Synonyms:
 acetic acid, phenyl-, butyl ester
 benzene acetic acid butyl ester
 benzeneacetic acid butyl ester
 benzeneacetic acid, butyl ester
 butyl 2-phenylacetate
 butyl 2-phenylethanoate
 butyl a-toluate
 butyl alpha-toluate
 butyl benzene acetate
 butyl benzeneacetate
N-butyl phenyl acetate
 butyl phenyl ethanoate
 butyl phenylacetate
N-butyl phenylacetate
 butyl phenylacetate FCC
 butyl phenylethanoate
 butyl-phenylacetate FCC
 phenyl acetic acid butyl ester
 phenyl ethanoic acid butyl ester
 phenylacetic acid butyl ester
2-phenylacetic acid butyl ester
 phenylethanoic acid butyl ester
 
 
Notes:
For orchid and fern. Blends well with woody notes. Gives depth to fragrances. Flavouring agent. Present in mountain papaya (Carica pubescens)
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