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styralyl butyrate

Chemical Structure

General Material Information

Preferred name styralyl butyrate
Trivial Name α-Methylbenzyl butyrate
Short Description alpha-phenethyl butyrate
Formula C12 H16 O2
CAS Number 3460-44-4
FEMA Number 2686
Flavis Number 9.231
ECHA Number 222-409-5
FDA UNII NP1Z2SN9NP
Nikkaji Number J155.064K
MDL MFCD00209534
COE Number 2083
xLogP3-AA 2.80 (est)
NMR Predictor External link
JECFA Food Flavoring 803 alpha-methylbenzyl butyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 3460-44-4 ; ALPHA-METHYLBENZYL BUTYRATE
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
  • 1-phenylethyl butanoate
  • Butyric acid, α-methylbenzyl ester
  • α-Methylbenzyl butyrate
  • α-Phenethyl butyrate
  • 1-Phenylethyl butyrate

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 192.25791931152
Specific gravity @ 25 °C
Pounds per Gallon 8.13 to 8.296
Refractive Index 1.484 to 1.49 @ 20 °C
Boiling Point 83 to 84°C @ 3 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.024 mmHg @ 25 °C
Flash Point TCC Value 109.44 °C TCC
logP (o/w) 3.37 est
Solubility
alcohol Yes
water, very slightly Yes
water, 44.15 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
sweet, fruity, berry, juicy fruit, earthy, floral, jasmin, juicy, bubble gum, tropical, pulpy, fruit overripe fruit
General comment At 100.00 %. sweet fruity berry juicy earthy floral jasmin
Mosciano, Gerard P&F 26, No. 3, 80, (2001) 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
Flavor Type: Fruity
fruity, plum, tropical, juicy, tutti frutti, bubble gum
Mosciano, Gerard P&F 26, No. 3, 80, (2001) 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

Safety Information

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

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
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: --

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

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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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