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

styralyl isobutyrate
alpha-methylbenzyl isobutyrate

Sponsors

Name:1-phenylethyl 2-methylpropanoate
CAS Number: 7775-39-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:231-894-2
FDA UNII:K9REG8PIWP
Nikkaji Web:J183.040F
CoE Number:2088
XlogP3-AA:3.10 (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
JECFA Food Flavoring:804 alpha-methylbenzyl isobutyrate
FLAVIS Number:09.486 (Old)
DG SANTE Food Flavourings:09.486 1-phenethyl isobutyrate
FEMA Number:2687 alpha-methylbenzyl isobutyrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: ALPHA-METHYLBENZYL ISOBUTYRATE
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 liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 242.00 to 243.00 °C. @ 760.00 mm Hg
Boiling Point: 80.00 °C. @ 3.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.033000 mm/Hg @ 25.00 °C. (est)
Flash Point: 196.00 °F. TCC ( 91.11 °C. )
logP (o/w): 3.155 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 58.95 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
fruity tropical jasmin green mango
Odor Description:at 100.00 %. fruity tropical jasmin green mango
Odor and/or flavor descriptions from others (if found).
Firmenich
METHYLPHENYLCARBINOL ISOBUTYRATE min. 98%, Kosher
Taste Description:Powerful floral, fruity, fleshy and woody notes
METHYLPHENYLCARBINOL ISOBUTYRATE brings very nice guava and jasmin profiles which are excellent for all types of exotic, citrus, tropical, kiwi and red fruits flavors.
 
Cosmetic Information:
None found
 
Suppliers:
Alfrebro
STYRALLYL ISOBUTYRATE NATURAL
Associate Allied Chemicals
Styrallyl Isobutyrate
About
Beijing Lys Chemicals
Styralyl isobutyrate
BOC Sciences
For experimental / research use only.
Styralyl Isobutyrate
Firmenich
METHYLPHENYLCARBINOL ISOBUTYRATE
min. 98%, Kosher
Flavor: Powerful floral, fruity, fleshy and woody notes
METHYLPHENYLCARBINOL ISOBUTYRATE brings very nice guava and jasmin profiles which are excellent for all types of exotic, citrus, tropical, kiwi and red fruits flavors.
Inoue Perfumery
STYRALYL ISOBUTYRATE
M&U International
STYRALLYL ISOBUTYRATE, Kosher
Nactis Flavours
STYRALLYL ISOBUTYRATE
Odor: fresh, green, sparkling note of rhubarb leaves with a sweet citrus aspect
Penta International
STYRALLYL ISOBUTYRATE, Kosher
Penta International
STYRALLYL ISOBUTYRATE, NATURAL, Kosher
Reincke & Fichtner
Styrallyl Isobutyrate
Synerzine
alpha-Methylbenzyl Isobutyrate
 
Safety Information:
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 24/25 - Avoid contact with skin and eyes.
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.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for styralyl isobutyrate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 24.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 1.00 (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: -10.00000
beverages(nonalcoholic): -2.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -10.00000
fruit ices: -10.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -10.00000
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 16 (FGE.16): Aromatic ketones from chemical group 21 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 16, Revision 1 (FGE.16Rev1)[1]: Aromatic ketones from chemical group 21- 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 69, (FGE.69)[1] - Consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting) structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16 (2006) - 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 16, Revision 2 (FGE.16Rev2): Aromatic ketones from chemical group 21
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):7775-39-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :569214
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
1-phenylethyl 2-methylpropanoate
Chemidplus:0007775395
 
References:
 1-phenylethyl 2-methylpropanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:7775-39-5
Pubchem (cid):569214
Pubchem (sid):135306793
 
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):HMDB37716
FooDB:FDB016845
Export Tariff Code:2915.60.0000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
curcuma amada roxb. rhizome oil
CS
aromatic
aromatic
(4E,9Z)-13-
methyloxacyclopentadeca-4,9-dien-2-one
FR
balsamic
iso
amyl benzoate
FL/FR
iso
propyl cinnamate
FL/FR
caramellic
maltyl isobutyrate
FL/FR
strawberry furanone acetate
FL/FR
citrus
2-
heptanol
FL/FR
coconut
tetrahydrojasmone
FR
ethereal
2-
methyl valeraldehyde
FL/FR
iso
propyl formate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
allyl octanoate
FL/FR
methyl (E)-2-hexenoate
FL/FR
floral
acetal 318
FR
alpha-
amyl cinnamaldehyde
FL/FR
alpha-
amyl cinnamaldehyde dimethyl acetal
FL/FR
para-
anisyl butyrate
FL/FR
benzyl acetate
FL/FR
blue lagoon fragrance
FR
boronia absolute
FL/FR
alpha-
butyl cinnamaldehyde
FL/FR
cassis specialty
FR
citronellyl acetate
FL/FR
black
currant bud concrete
FL/FR
dihydroisojasmonate methyl ester
FR
dimethyl benzyl carbinyl acetate
FL/FR
ethyl linalyl acetate
FR
iso
eugenyl ethyl acetal
FR
gelsone (IFF)
FL/FR
herbal pyran
FR
alpha-
hexyl cinnamaldehyde
FL/FR
alpha-
ionone
FL/FR
jasmin cyclopentanone
FR
methyl dihydrojasmonate
FL/FR
3-
nonanone
FL/FR
beta-
ocimene
FL/FR
bitter
orangeflower absolute morocco
FL/FR
phenethyl acetate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
(Z,E)-
phytol
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
rose butanoate
FL/FR
fruity
allyl amyl glycolate
FR
allyl butyrate
FL/FR
allyl cyclohexyl propionate
FL/FR
iso
amyl butyrate
FL/FR
iso
amyl isovalerate
FL/FR
iso
amyl octanoate
FL/FR
iso
amyl propionate
FL/FR
benzyl butyrate
FL/FR
berry hexanoate
FR
butyl isobutyrate
FL/FR
iso
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
neo
caspirene
FL/FR
cherry pentenoate
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
diethyl malonate
FL/FR
dimethyl succinate
FL/FR
ethyl 2-cyclohexyl propionate
FR
ethyl 2-octenoate
FL/FR
ethyl 3-acetoxyhexanoate
FL/FR
ethyl 3,5,5-trimethyl hexanoate
FR
ethyl acetoacetate
FL/FR
heptanal cyclic ethylene acetal
FR
heptyl butyrate
FL/FR
2-
hexen-1-ol
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
2-
hexenyl cyclopentanyl acetate
FR
hexyl (E)-tiglate
FL/FR
hexyl acetate
FL/FR
kiwi specialty
FR
lychee fragrance
FR
methyl 3-nonenoate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl cyclohexyl acetate
FR
methyl heptanoate
FL/FR
nerolidyl isobutyrate
FR
octen-1-yl cyclopentanone
FL/FR
octyl butyrate
FL/FR
2-
pentyl furan
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
prenyl acetate
FL/FR
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl hexanoate
FL/FR
propyl isobutyrate
FL/FR
rhubarb undecane
FR
tetrahydrofurfuryl butyrate
FL/FR
tropical indene
FR
tropical ionone
FL/FR
tropical thiazole
FL/FR
green
iso
amyl formate
FL/FR
alpha-
decalactone
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
galbanum specialty
FR
heptanal dimethyl acetal
FL/FR
(E)-2-
hexen-1-yl formate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
hexyl hexanoate
FL/FR
hexyl octanoate
FL/FR
manzanate (Givaudan)
FL/FR
1-
penten-3-ol
FL/FR
phenoxyethyl isobutyrate
FL/FR
propylene acetal
FL/FR
violet dienyne
FR
herbal
6-
acetoxydihydrotheaspirane
FL/FR
barosma betulina leaf oil
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
viridiflorol
FL/FR
spicy
spicy acetoacetate
FL/FR
sulfurous
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
lychee mercaptan acetate
FL/FR
mango thiol
FL/FR
passiflora acetate
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
4-
tropical oxathiane
FL/FR
tropical
beta-
cyclocitral
FL/FR
cis-
galbanum oxathiane
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
3-
nonen-4-olide
FL/FR
passiflora edulis fruit extract
FL/FR
passiflora edulis fruit water
FL/FR
passion fruit fragrance
FR
pina colada fragrance
FR
triflaige A
FR
tropical 3-thiobutyrate
FL/FR
2-
tropical oxathiane
FL/FR
waxy
nonyl acetate
FL/FR
octyl 2-methyl butyrate
FL/FR
woody
verdoxan
FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
6-
acetoxydihydrotheaspirane
FL/FR
iso
amyl 3-methyl thiopropionate
FL
alpha-
amyl cinnamaldehyde dimethyl acetal
FL/FR
neo
caspirene
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
alpha-
decalactone
FL/FR
2,5-
diethyl-4-propyl thiazole
FL
S-(2,5-
dimethyl-3-furyl) ethane thioate
FL
2,6-
dipropyl-5,6-dihydro-2H-thiopyran-3-carboxaldehyde
FL
ethyl 2-(methyl thio) acetate
FL
ethyl 3-acetoxyhexanoate
FL/FR
ethyl 3-octenoate
FL
2-
hexenal
FL
2-
hexenal diethyl acetal
FL
hexyl (E)-2-hexenoate
FL
methyl (E)-2-hexenoate
FL/FR
methyl 2-(methyl thio) acetate
FL
2-
methyl-2-octenal
FL
(E)-2-
methyl-2-octenal
FL
(E)-6-
methyl-3-hepten-2-one
FL/FR
3-
methyl-3-pentanol
FL
3-
nonen-4-olide
FL/FR
(E,E)-3,5-
octadien-2-one
FL
2-
phenyl propyl isobutyrate
FL/FR
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
S-
prenyl thioisobutyrate
FL
S-
prenyl thioisovalerate
FL
propylene acetal
FL/FR
sorbyl propionate
FL
S-
tropical 2-thiobutyrate
FL/FR
2-
tropical oxathiane
FL/FR
viridiflorol
FL/FR
allyl thiohexanoate
FL
alpha-
butyl cinnamaldehyde
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
anisic
para-
anisyl butyrate
FL/FR
balsamic
(Z,E)-
phytol
FL/FR
iso
propyl cinnamate
FL/FR
caramellic
strawberry furanone acetate
FL/FR
cheesy
methyl ketones
FL
cooling
manzanate (Givaudan)
FL/FR
creamy
triacetin
FL
estery
ethyl acetoacetate
FL/FR
fatty
allyl octanoate
FL/FR
floral
citronellyl acetate
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
alpha-
ionone
FL/FR
methyl dihydrojasmonate
FL/FR
bitter
orangeflower absolute morocco
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
tropical ionone
FL/FR
fruity
allyl cyclohexyl propionate
FL/FR
iso
amyl benzoate
FL/FR
iso
amyl octanoate
FL/FR
iso
amyl propionate
FL/FR
benzyl acetate
FL/FR
benzyl butyrate
FL/FR
boronia absolute
FL/FR
butyl isobutyrate
FL/FR
iso
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
black
currant bud concrete
FL/FR
diethyl malonate
FL/FR
dimethyl succinate
FL/FR
ethyl (E)-2-octenoate
FL
ethyl 2-octenoate
FL/FR
furfuryl propionate
FL
2-
heptanol
FL/FR
2-
hexen-1-ol
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
hexyl acetate
FL/FR
hexyl hexanoate
FL/FR
3-
mercaptohexyl hexanoate
FL
methyl (E)-3-nonenoate
FL
methyl 3-nonenoate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl heptanoate
FL/FR
octen-1-yl cyclopentanone
FL/FR
passion fruit distillates
FL
pineapple pentenoate
FL/FR
prenol
FL/FR
prenyl acetate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
iso
propyl formate
FL/FR
propyl hexanoate
FL/FR
propyl isobutyrate
FL/FR
rose butanoate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
4-
tropical oxathiane
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
green
allyl butyrate
FL/FR
iso
amyl formate
FL/FR
iso
amyl isovalerate
FL/FR
cassis pentanone
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
cis-
galbanum oxathiane
FL/FR
gelsone (IFF)
FL/FR
heptanal dimethyl acetal
FL/FR
heptyl butyrate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexenal diethyl acetal
FL
hexyl (E)-tiglate
FL/FR
hexyl octanoate
FL/FR
methyl 2-undecynoate
FL
3-
nonanone
FL/FR
beta-
ocimene
FL/FR
1-
penten-3-ol
FL/FR
2-
pentyl furan
FL/FR
phenoxyethyl isobutyrate
FL/FR
herbal
barosma betulina leaf oil
FL/FR
buchu oil fractions
FL
honey
phenethyl acetate
FL/FR
jammy
maltyl isobutyrate
FL/FR
juicy
lychee mercaptan acetate
FL/FR
rummy
(E)-2-
hexen-1-yl formate
FL/FR
spicy
spicy acetoacetate
FL/FR
sulfurous
buchu mercaptan
FL/FR
mango thiol
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical 3-thiobutyrate
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
anacardium occidentale fruit puree
FL
beta-
cyclocitral
FL/FR
3-
mercaptohexyl butyrate
FL
passiflora acetate
FL/FR
passiflora edulis fruit extract
FL/FR
passiflora edulis fruit water
FL/FR
vegetable
2-
methyl valeraldehyde
FL/FR
2-
octen-4-one
FL/FR
waxy
iso
amyl butyrate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
nonyl acetate
FL/FR
octyl 2-methyl butyrate
FL/FR
octyl butyrate
FL/FR
 
Potential Uses:
FRfloral
FRhydrangea
FRjasmin
FRmango
FRtuberose
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
isobutyric acid alpha-methyl benzyl ester
isobutyric acid phenylethyl ester
alpha-methyl benzyl 2-methyl propanoate
alpha-methyl benzyl isobutyrate
 methyl phenyl carbinyl isobutyrate
2-methyl propanoic acid 1-phenyl ethyl ester
alpha-methylbenzyl isobutyrate
 methylphenylcarbinol isobutyrate
1-phenethyl isobutyrate
1-phenyl ethyl isobutyrate
1-phenyl-1-ethyl 2-methyl propanoate
1-phenyl-1-ethyl isobutyrate
1-phenylethyl 2-methylpropanoate
1-phenylethyl isobutyrate
a-phenylethyl isobutyrate
 phenylethyl methylpropanoate
 propanoic acid, 2-methyl-, 1-phenylethyl ester
 styrallyl isobutyrate
 styrallyl isobutyrate natural
 

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Notes:
Flavouring ingredient
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