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    General Material Information
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    PhysChem Properties
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    Organoleptic Properties
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styralyl acetate

Chemical Structure

General Material Information

Preferred name styralyl acetate
Trivial Name 1-Phenylethyl acetate
Short Description gardenol
Formula C10 H12 O2
CAS Number 93-92-5
Deleted CAS Number 1335-75-7
FEMA Number 2684
ECHA Number 202-288-5
FDA UNII FYS3E9NBA3
Nikkaji Number J155.063B
Beilstein Number 1908635
MDL MFCD00008858
COE Number 573
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 801 alpha-methylbenzyl acetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 93-92-5 ; ALPHA-METHYLBENZYL ACETATE
Synonyms
  • acetic acid 1-phenylethyl ester
  • benzenemethanol, a-methyl-, acetate
  • benzyl alcohol, a-methyl-, acetate
  • benzyl alcohol, methyl-, acetate
  • gardenol
  • alpha- methyl benzene methanol acetate
  • alpha- methyl benzyl acetate
  • alpha- methyl benzyl alcohol acetate
  • methyl phenyl carbinol acetate
  • methyl phenyl carbinyl acetate
  • a- methylbenzenemethanol acetate
  • ±-a- methylbenzyl acetate
  • a- methylbenzyl acetate
  • alpha- methylbenzyl acetate
  • methylphenylcarbinol acetate
  • methylphenylcarbinyl acetate
  • 1-phenethyl acetate
  • a- phenethyl acetate
  • alpha- phenyl ethyl acetate
  • sec- phenyl ethyl acetate
  • phenyl methyl carbinyl acetate
  • 1-phenylethyl acetate
  • a- phenylethyl acetate
  • phenylmethylcarbinyl acetate
  • styrallyl acetate
  • styrallyl acetate (racemic) natural
  • styrallyl acetate natural
  • styrollyl acetate
  • styrolyl acetate
  • styryl allyl acetate
  • Benzenemethanol, α-methyl-, 1-acetate
  • Benzyl alcohol, α-methyl-, acetate
  • Benzenemethanol, α-methyl-, acetate
  • Gardeniol II
  • α-Methylbenzyl acetate
  • α-Methylbenzyl alcohol, acetate
  • sec-Phenylethyl acetate
  • α-Phenylethyl acetate
  • 1-Phenylethyl acetate
  • sec-Phenethyl acetate
  • Styrylallyl acetate
  • α-Phenethyl acetate
  • 1-Acetoxy-1-phenylethane
  • (±)-α-Phenethyl acetate
  • dl-1-Phenylethyl acetate
  • (±)-Styrallyl acetate
  • α-Methylbenzenemethanol acetate
  • (±)-α-Methylbenzyl acetate
  • NSC 2397

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

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Literature & References

Leffingwell:Chirality or Article
1-phenylethyl acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:93-92-5
Pubchem (cid):62341
Pubchem (sid):135019877
Pherobase:View
Publications by Perfumer & Flavorist
Organoleptic Characteristics of Flavor Materials

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB32620
FooDB:FDB010563
Export Tariff Code:2915.39.9050
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

Suppliers

Advanced Biotech Alfrebro
Ambles Nature et Chimie Aromiens International
Augustus Oils Aurochemicals
Axxence Aromatic Beijing Lys Chemicals
Berjé BOC Sciences
Charkit Chemical CJ Latta & Associates
Creatingperfume.com Diffusions Aromatiques
ECSA Chemicals Elan Inc.
Ernesto Ventós Eternis Fine Chemicals
Excellentia International Fleurchem
Foreverest Resources Fuzhou Farwell
Global Essence Indukern F&F
Jiangyin Healthway K.L. Koh Enterprise
Keva Lluch Essence
M&U International Moellhausen
Natural Advantage Omega Ingredients
OQEMA PCW France
Pearlchem Corporation Pell Wall Perfumes
Penta International PerfumersWorld
Perfumery Laboratory Phoenix Aromas & Essential Oils
Prodasynth R C Treatt & Co Ltd
Reincke & Fichtner Riverside Aromatics
Sigma-Aldrich SRS Aromatics
Stort Chemicals Sunaux International
Symrise The Good Scents Company
The John D. Walsh Company The Lermond Company
The Perfumers Apprentice Tianjin Danjun International
Ungerer & Company United International
Vigon International WholeChem
Zanos Advanced Biotech. Inc.
Alfrebro LLC/ Archer Daniels Midland Company Augustus Oils Ltd
Axxence Aromatic GmbH Beijing Lys Chemicals Co, LTD.
Berje Inc. Charkit Chemical Corporation
CJ Latta & Associates, LLC Fleurchem, Inc.
Foreverest Resources Ltd. Global Essence Inc.
Indukern, S.A. F&F Ingredients Division Jiangyin Healthway International Trade Co., Ltd
Lluch Essence S.L. M&U International LLC
Moellhausen S.P.A. Penta International Corporation
PerfumersWorld Ltd. Riverside Aromatics Ltd.
SRS Aromatics Ltd Symrise AG
The John D. Walsh Company, Inc Tianjin Danjun International Trade Co., LTD.
R C Treatt and Co Ltd Qingdao Free Trade Zone United International Co Ltd
Ernesto Ventós S.A. WholeChem, LLC
Zanos Ltd.

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 164.20404052734
Specific gravity @ 25 °C
Pounds per Gallon 8.487 to 8.612
Specific gravity @ 20 °C
Pounds per Gallon 8.522 to 8.589
Refractive Index 1.492 to 1.504 @ 20 °C
Boiling Point 94 to 95°C @ 12 mm Hg
Boiling Point 213 to 215°C @ 760 mm Hg
Acid Value 2 max KOH/g
Vapor Pressure 0.203 mmHg @ 25 °C
Flash Point TCC Value 91.11 °C TCC
logP (o/w) 2.351 est
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
dipropylene glycol Yes
fixed oils Yes
kerosene Yes
paraffin oil Yes
water, 481.1 mg/L @ 25 °C (est) Yes
water No
glycerin No
Stability
bath foam Unspecified
cream Unspecified
hair spray Unspecified
lotion Unspecified
non-discoloring in most media Unspecified
powder Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Green
green, leafy, gardenia, rhubarb, musty, fruity, seedy, berry
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 8 hour(s) at 100.00 %
Luebke, William tgsc, (1982) At 10.00 % in dipropylene glycol. green leafy gardenia rhubarb musty
Mosciano, Gerard P&F 22, No. 2, 69, (1997) Green, fruity and musty with seedy, berry nuances
Flavor Type: Fruity
fruity, berry, green, seedy, nutty
Mosciano, Gerard P&F 22, No. 2, 69, (1997) At 12.00 ppm. Fruity, berry, green, seedy and slightly nutty
General comment Fruity, green, rhubarb

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Flammable liquids (Category 4), H227
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H227 - Combustible liquid
Precautionary statement(s)
P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P264 - Wash skin thouroughly after handling.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction.
P403 + P235 - Store in a well-ventilated place. Keep cool.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Human Experience:
8 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 4600 mg/kg
(Levenstein, 1974d)

oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 611, 1976.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 611, 1976.

skin-rabbit LD50 2500 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 979, 1974.

Inhalation Toxicity:
Not determined

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 acetate usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 170.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 650.00 (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: -17.00000
beverages(nonalcoholic): -3.90000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -0.80000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -5.40000
fruit ices: -5.40000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -12.00000
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 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 16, Revision 2 (FGE.16Rev2): Aromatic ketones from chemical group 21
View page or View pdf

Safety and efficacy of aromatic ketones, secondary alcohols and related esters belonging to chemical group 21 when used as flavourings for all animal species
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 Substance Registry Services (TSCA):93-92-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62341
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
1-phenylethyl acetate
Chemidplus:0000093925
RTECS:DO9410000 for cas# 93-92-5