styralyl butyrate
alpha-phenethyl butyrate
 
Notes:
Flavouring ingredient
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      3460-44-4 Styralyl 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.
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      Product(s):
      19-64050 STYRALLYL BUTYRATE
       
  • Sigma-Aldrich
  • Synerzine
    • Synerzine, Inc.
      Innovation. Customization. Aroma Ingredients.
      Synerzine is a leading supplier of flavor and fragrance ingredients.
      Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust.
      Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster.
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      Products List: View
      Product(s):
      W1812 Styralyl Butyrate
       
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CAS Number: 3460-44-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 222-409-5
FDA UNII: NP1Z2SN9NP
Nikkaji Web: J155.064K
MDL: MFCD00209534
CoE Number: 2083
XlogP3-AA: 2.80 (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: 803  alpha-methylbenzyl butyrate
DG SANTE Food Flavourings: 09.231  1-phenethyl butyrate
FEMA Number: 2686 alpha-phenethyl butyrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):3460-44-4 ; ALPHA-METHYLBENZYL BUTYRATE
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 oily liquid (est)
Assay: 98.00 to 100.00 % 
Additional Assay Information: racemate
Food Chemicals Codex Listed: No
Specific Gravity: 0.97700 to 0.99700 @  25.00 °C.
Pounds per Gallon - (est).: 8.130 to  8.296
Refractive Index: 1.48400 to 1.49000 @  20.00 °C.
Boiling Point: 83.00 to  84.00 °C. @ 3.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.024000 mmHg @ 25.00 °C. (est)
Flash Point: 229.00 °F. TCC ( 109.44 °C. )
logP (o/w): 3.370 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 44.15 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: medium
 
 sweet  fruity  berry  juicy fruit  earthy  floral  jasmin  
Odor Description:
at 100.00 %. 
sweet fruity berry juicy earthy floral jasmin
 
 sweet  fruity  berry  juicy  bubble gum  tropical  juicy fruit  pulpy  fruit overripe fruit  
Odor Description:
at 5.00 %.  
Sweet, fruity, berry-like with a juicy fruit and bubble gum character and a tropical fruity pulpy and over ripe fruit nectar like nuance
Mosciano, Gerard P&F 26, No. 3, 80, (2001)
 
 
Flavor Type: fruity
 
 fruity  plum  tropical  juicy  tutti frutti  bubble gum  
Taste Description:
at 5.00 - 50.00 ppm. 
Heavy, fruity, plum-like with a rich tropical nectar nuance. It has juicy fruit and tutti frutti bubble gum-like nuances
Mosciano, Gerard P&F 26, No. 3, 80, (2001)
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Styralyl Butyrate
Inoue Perfumery
STYRALYL BUTYRATE
Penta International
STYRALLYL BUTYRATE
Reincke & Fichtner
alpha-Methylbenzyl Butyrate
Sigma-Aldrich
a-Methylbenzyl butyrate, ≥98%
Odor: earthy; fruity
Certified Food Grade Products
Synerzine
Styralyl Butyrate
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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 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
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Safety in Use Information:
Category: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for styralyl butyrate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.10 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (μg/capita/day)
Threshold of Concern:1800 (μg/person/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
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: 10.0000020.00000
beverages(nonalcoholic): 4.000005.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 4.0000010.00000
fruit ices: 4.0000010.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 10.0000020.00000
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: --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of aromatic substituted secondary alcohols, ketones, and related esters used as flavor ingredients. View pdf
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
Scientific Opinion on Flavouring Group Evaluation 69, Revision 1 (FGE.69Rev1): 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.16Rev2
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 570574
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 1
 1-phenylethyl butanoate
Chemidplus: 0003460444
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References:
 1-phenylethyl butanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 3460-44-4
Pubchem (cid): 570574
Pubchem (sid): 135263472
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB37717
FooDB: FDB016846
Export Tariff Code: 2915.60.0000
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
4-methyl-2-(2-methyl propyl)-1,3-oxathiane 
(E)-5-nonen-2-oneFL/FR
alliaceous
 methyl furfuryl disulfideFL/FR
amber
 ambrette seed absoluteFL/FR
balsamic
 guaiyl butyrateFR
 pine needle absoluteFL/FR
berry
wild berry fragranceFR
 berry fragranceFR
 blackberry infusionsFL/FR
 blackberry specialtyFR
 blueberry fragranceFR
 blueberry infusionsFL/FR
 blueberry specialtyFR
 boysenberry fragranceFR
 currant fragranceFR
red currant fragranceFR
black currant fragranceFR
black currant infusionsFL/FR
 gooseberry fragranceFR
 huckleberry fragranceFR
 loganberry fragranceFR
 loganberry specialtyFR
 lycium barbarum fruit absoluteFR
 mercaptomethyl pentanone 
 methyl beta-ionyl acetateFR
 methyl furoate 
 mulberry fragranceFR
 raspberry essenceFL/FR
 raspberry fragranceFR
black raspberry fragranceFR
 raspberry infusionsFL/FR
 raspberry specialtyFR
 rubus fruticosus fruit extractFL/FR
 rubus idaeus fruit tincture 
camphoreous
3-benzylidene-2-butanoneFL/FR
beta-homocyclocitralFL/FR
caramellic
 maltyl isobutyrateFL/FR
citrus
 grapefruit mercaptanFL/FR
5-mercapto-5-methyl-3-hexanoneFL/FR
estery
(E)-tiglyl 2-methyl butyrate 
ethereal
 propyl formateFL/FR
fermented
 valeraldehydeFL/FR
floral
 citronellyl acetateFL/FR
alpha-damasconeFL/FR
 dihydro-alpha-iononeFL/FR
4,6-dimethyl-alpha-allyl-3-cyclohexene methanol 
2,4-dimethyl-alpha-allyl-3-cyclohexene methanol 
 farnesolFL/FR
beta-iononeFL/FR
 jasmin cyclopentanoneFR
 jasmin oil CO2 extractFL/FR
 nerolin fragarolFL/FR
 phenethyl acetateFL/FR
 rose carboxylateFR
isoamyl propionateFL/FR
 artemisia pallens herb oilFL/FR
 benzyl butyrateFL/FR
3-benzyl-4-heptanoneFL/FR
 berry hexanoateFR
 berry pentadienoateFL/FR
 blackberry fragranceFR
 blackberry vanilla fragranceFR
 blueberry essenceFL/FR
 boysenberry essenceFL/FR
isobutyl butyrateFL/FR
 butyl hexanoateFL/FR
 cherry berry fragranceFR
 cherry fragranceFR
black cherry fragranceFR
red currant essenceFL/FR
black currant essenceFL/FR
 cyclohexyl isovalerateFL/FR
 davana oil replacerFR
 dihydroactinidolideFL/FR
 etaspireneFR
 ethyl (R)-2-hydroxy-4-methyl pentanoateFR
 ethyl (S)-2-hydroxy-4-methyl pentanoateFR
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl alpha-ethyl-beta-methyl-beta-phenyl glycidateFL/FR
 ethyl butyrateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl propionateFL/FR
(E,E)-ethyl sorbateFL/FR
 filbert hexenoneFL/FR
 fruit specialtyFR
 geranyl methyl tiglate 
 heliotropyl isobutyrateFL/FR
beta-ionone epoxideFL/FR
 maltyl butyrateFL/FR
 methyl 2-methyl valerateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
2-methyl butyl acetateFL/FR
 methyl isovalerateFL/FR
3-nonen-2-oneFL/FR
 osmanthus flower absoluteFL/FR
isopropenyl acetateFL/FR
 propyl butyrateFL/FR
 propyl isobutyrateFL/FR
red raspberry essenceFL/FR
black raspberry essenceFL/FR
 raspberry fruit oilFR
 ribes nigrum fruit extractFL/FR
 ribes rubrum fruit extractFL/FR
isospireneFR
 strawberry fragranceFR
 strawberry glycidate 2FL/FR
 strawberry infusionFL/FR
 strawberry specialtyFR
 tropical indeneFR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
 vanilla carboxylateFL/FR
3-cyclohexyl propyl propionate 
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(E)-2-octen-1-yl acetateFL/FR
1-penten-3-olFL/FR
 thiogeraniolFL/FR
herbal
 barosma betulina leaf oilFL/FR
 viridiflorolFL/FR
melon
2-octenyl acetateFL/FR
mentholic
 menthyl acetate racemicFL/FR
musk
 musk methyl propionateFR
soapy
 ambrettolideFL/FR
spicy
black currant bud absoluteFL/FR
sulfurous
 blackberry thiophenoneFL/FR
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
 grapefruit menthaneFL/FR
(S)-1-methoxy-3-heptane thiolFL/FR
 passiflora acetateFL/FR
tropical
 tropical 3-thiobutyrateFL/FR
waxy
(E)-2-octen-1-yl butyrateFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
 allyl tiglateFL
isoamyl 3-methyl thiopropionateFL
3-benzylidene-2-butanoneFL/FR
 blackberry thiophenoneFL/FR
2-butyl-5-ethyl thiopheneFL
3-cyclohexyl propyl propionate 
 dihydroactinidolideFL/FR
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 ethyl 3-octenoateFL
beta-ionone epoxideFL/FR
 menthyl acetate racemicFL/FR
5-mercapto-5-methyl-3-hexanoneFL/FR
 mercaptomethyl pentanone 
 methyl furoate 
4-methyl-2-(2-methyl propyl)-1,3-oxathiane 
(E)-5-nonen-2-oneFL/FR
(E)-2-octen-1-yl butyrateFL/FR
(E)-2-octen-4-olFL
 pine needle absoluteFL/FR
 rubus idaeus fruit tincture 
(E)-tiglyl 2-methyl butyrate 
 viridiflorolFL/FR
alliaceous
 tropical thiazoleFL/FR
berry
 blackberry infusionsFL/FR
 blueberry essenceFL/FR
 blueberry infusionsFL/FR
black currant infusionsFL/FR
 dihydro-alpha-iononeFL/FR
 huckleberry flavorFL
 maltyl butyrateFL/FR
(S)-1-methoxy-3-heptane thiolFL/FR
 raspberry essenceFL/FR
 raspberry infusionsFL/FR
 rubus fruticosus fruit extractFL/FR
 rubus idaeus fruit extractFL
brandy
plum brandy flavorFL
citrus
 grapefruit mercaptanFL/FR
coffee
 methyl furfuryl disulfideFL/FR
cooling
beta-homocyclocitralFL/FR
ethereal
isopropenyl acetateFL/FR
floral
 citronellyl acetateFL/FR
2,4-dimethyl-alpha-allyl-3-cyclohexene methanol 
4,6-dimethyl-alpha-allyl-3-cyclohexene methanol 
 farnesolFL/FR
 jasmin oil CO2 extractFL/FR
 tropical iononeFL/FR
fruity
isoamyl propionateFL/FR
 apricot flavorFL
 artemisia pallens herb oilFL/FR
 benzyl butyrateFL/FR
3-benzyl-4-heptanoneFL/FR
 berry pentadienoateFL/FR
 boysenberry essenceFL/FR
isobutyl butyrateFL/FR
 butyl hexanoateFL/FR
black currant essenceFL/FR
red currant essenceFL/FR
 cyclohexyl isovalerateFL/FR
alpha-damasconeFL/FR
 ethyl (E)-2-methyl-2-pentenoateFL
 ethyl (E)-2-octenoateFL
 ethyl 2-octenoateFL/FR
 ethyl 3-oxohexanoateFL
 ethyl alpha-ethyl-beta-methyl-beta-phenyl glycidateFL/FR
 ethyl butyrateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl propionateFL/FR
(E,E)-ethyl sorbateFL/FR
 filbert hexenoneFL/FR
 furfuryl isovalerateFL
 geranyl methyl tiglate 
 heliotropyl isobutyrateFL/FR
 kiwi flavorFL
 methyl 2-methyl valerateFL/FR
2-methyl allyl butyrateFL
2-methyl butyl 2-methyl butyrateFL/FR
2-methyl butyl acetateFL/FR
 methyl isovalerateFL/FR
 nerolin fragarolFL/FR
 osmanthus flower absoluteFL/FR
 pear distillatesFL
 pear flavorFL
 pineapple distillatesFL
 pineapple flavorFL
 plum flavorFL
 propyl butyrateFL/FR
 propyl formateFL/FR
 propyl isobutyrateFL/FR
red raspberry essenceFL/FR
black raspberry essenceFL/FR
 ribes nigrum fruit extractFL/FR
 ribes rubrum fruit extractFL/FR
ripe strawberry flavorFL
 strawberry flavorFL
 strawberry glycidate 2FL/FR
 strawberry infusionFL/FR
 vanilla carboxylateFL/FR
green
 cassis pentanoneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(E)-2-octen-1-yl acetateFL/FR
2-octenyl acetateFL/FR
1-penten-3-olFL/FR
herbal
 barosma betulina leaf oilFL/FR
honey
 phenethyl acetateFL/FR
jammy
 maltyl isobutyrateFL/FR
minty
 thiogeraniolFL/FR
oily
3-nonen-2-oneFL/FR
soapy
 ambrettolideFL/FR
spicy
black currant bud absoluteFL/FR
sulfurous
 buchu mercaptanFL/FR
 grapefruit menthaneFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
 tropical 3-thiobutyrateFL/FR
tropical
 passiflora acetateFL/FR
vegetable
2-octen-4-oneFL/FR
winey
 valeraldehydeFL/FR
woody
 ambrette seed absoluteFL/FR
beta-iononeFL/FR
 
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Potential Uses:
 appleFR
 apricotFR
 bananaFR
 blackberryFR
 blueberryFR
 bubble gumFR
 cherryFR
 fruitFR
 gardeniaFR
 grapeFR
 jasminFR
 raspberryFR
 strawberryFR
 tropicalFL
 valerianFL/FR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 butanoic acid 1-phenyl ethyl ester
 butanoic acid, 1-phenylethyl ester
 butyric acid alpha-methyl benzyl ester
alpha-methyl benzyl butyrate
 methyl phenyl carbinyl butyrate
a-methylbenzyl butyrate
alpha-methylbenzyl butyrate
1-phenethyl butyrate
alpha-phenethyl butyrate
1-phenyl ethyl butanoate
1-phenyl ethyl butyrate
1-phenyl-1-ethyl butanoate
1-phenylethyl butanoate
1-phenylethyl butyrate
a-phenylethyl butyrate
 styrallyl butyrate
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Articles:
 None found yet.
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