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isoeugenyl acetate

Chemical Structure

General Material Information

Preferred name isoeugenyl acetate
Trivial Name Isoeugenol, acetate
Short Description acetyl isoeugenol
Formula C12 H14 O3
CAS Number 93-29-8
FEMA Number 2470
ECHA Number 202-236-1
FDA UNII 9DF21GI8W6
MDL MFCD00026984
COE Number 220
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1262 isoeugenyl acetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 93-29-8 ; ISOEUGENYL ACETATE
Synonyms
  • acetisoeugenol
  • 1-acetoxy-2-methoxy-4-(1-propenyl)benzene
  • 4-acetoxy-3-methoxy-1-(1-propen-1-yl) benzene
  • 4-acetoxy-3-methoxy-1-propen-1-yl benzene
  • 4-acetoxy-3-methoxy-1-propen-1-yl-benzene
  • 4-acetoxy-3-methoxy-1-propenyl benzene
  • acetyl iso eugenol
  • acetyl isoeugenol
  • acetylisoeugenol
  • iso eugenol acetate
  • iso eugenyle acetate
  • 2-methoxy-4-(1-propenyl)phenyl acetate
  • 2-methoxy-4-(prop-1-en-1-yl)phenyl acetate
  • 2-methoxy-4-(propen-1-yl)-phenyl acetate
  • 2-methoxy-4-(propenyl-1) phenyl acetate
  • 2-methoxy-4-prop-1-enyl phenyl acetate
  • 2-methoxy-4-prop-1-enylphenyl acetate
  • (2-methoxy-4-prop-1-enylphenyl) acetate
  • 2-methoxy-4-propenyl phenyl acetate
  • (2-methoxy-4-prop-1-enylphenyl) acetate
  • Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-acetate
  • Phenol, 2-methoxy-4-propenyl-, acetate
  • Isoeugenol, acetate
  • Phenol, 2-methoxy-4-(1-propenyl)-, acetate
  • 4-Acetoxy-3-methoxy-1-propenylbenzene
  • 2-Methoxy-4-propenylphenyl acetate
  • O-Acetylisoeugenol
  • NSC 46121

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):HMDB32348
FooDB:FDB012409
Export Tariff Code:2909.30.6000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 206.24118041992
Melting Point 79 to 81°C @ 760 mm Hg
Boiling Point 282 to 283°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.003 mmHg @ 25 °C
Flash Point TCC Value 148.89 °C TCC
logP (o/w) 3.043 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
alcohol Yes
fixed oils Yes
water, 40 mg/L @ 20 °C (exp) Yes
water No

Organoleptic Properties

Odor Type: Spicy
sweet, spicy, powdery, floral, carnation, balsamic
Odor strength medium
Substantivity 400 hour(s) at 20.00 % in dipropylene glycol
Luebke, William tgsc, (1984) At 100.00 %. sweet spicy powdery floral carnation balsam
Flavor Type: Spicy
sweet, spicy, clove, powdery, woody, woody burnt wood
Luebke, William tgsc, (1984) Sweet spicy clove powdery woody burnt wood
General comment Mild sweet spicy

Occurrences

Potential Uses

Applications
Odor purposes Acacia, Acorn, Allspice, Allspice, Amber, Ambreine, Ambrette oil replacer, Animal, Arnica flower, Autumn, Azalea, Balsam, Bay rum, Bayberry, Benzoin absolute replacer, Bread baked bread, Cabreuva wood, Calamus oil replacer, Carnation, Cassia, Cassia blossom, Castoreum, Chamomile, Champaca, Cherry black cherry, Chestnut blossom, Cinnamon, Clove, Clove blossom, Coconut, Coconut tropical coconut, Coffee, Copaiba balsam, Coronilla, Croton eluteria bark, Currant, Cypress oil replacer, Dahlia, Daisy, Daphne, Date, Deertongue absolute replacer, Dogwood, Elder flower, Fagonia, Fenugreek, Fern, Fig, Fir balsam, Floral, Flouve, Flouve blossom, Forest, Genet, Gingerbread, Graham cracker, Guaiacwood, Habuba, Hawthorn, Hay new mown hay, Heather, Hollyberry, Hugonia, Immortelle, Incense, Iris blossom, Jasmin, Kewda, Labdanum, Leather, Lovage root, Maja, Malt, Moss, Mulberry, Musk, Narcissus, Nutmeg, Oakwood, Opoponax, Oriental, Osmanthus, Patchouli, Petunia, Plum, Powder, Pumpkin pie, Rose, Rose d'orient, Rose moss rose, Rose white rose, Saffron, Sandalwood, Scented stock, Spice, Spicewood, Sweet grass, Tobacco, Tonka bean, Tulip, Valerian, Vanilla, Wisteria, Woodruff, Woody, Yerba mate
Flavoring purposes Absinthe, Benzoin absolute replacer, Cake, Cappuccino, Capsicum, Caramel, Chicory root, Chocolate cacao, Cookie, Copaiba balsam, Croton eluteria bark, Fenugreek, Guaiacwood, Immortelle, Lovage root, Milk malted milk, Valerian, Yerba mate
Other purposes Blossom tropical blossom, Fantasy blends, Liverwort, Straw, Timber, Weedy
Cosmetic purposes Perfuming agents

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)
Skin irritation (Category 2), H315
Eye irritation (Category 2A), H319
Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H315 - Causes skin irritation
H319 - Causes serious eye irritation
H335 - May cause respiratory irritation
Precautionary statement(s)
P261 - Avoid breathing dust/fume/gas/mist/vapours/spray.
P264 - Wash skin thouroughly after handling.
P271 - Use only outdoors or in a well-ventilated area.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P302 + P352 - IF ON SKIN: wash with plenty of soap and water.
P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P312 - Call a POISON CENTER or doctor/physician if you feel unwell.
P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention.
P337 + P313 - IF eye irritation persists: Get medical advice/attention.
P362 - Take off contaminated clothing and wash before reuse.
P403 + P233 - Store in a well-ventilated place. Keep container tightly closed.
P405 - Store locked up.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Human Experience:
10 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 3450 mg/kg
(Moreno, 1973am)

oral-rat LD50 3450 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 819, 1975.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 819, 1975.

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 isoeugenyl acetate usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.61 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 11.00 (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
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -17.00000
beverages(nonalcoholic): -0.44000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -100.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.10000
fruit ices: -2.10000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -17.00000
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):

Flavouring Group Evaluation 30 (FGE.30): 2-Methoxy-4-(prop-1-enyl)phenyl 3-methylbutyrate from chemical group 17
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 81 (FGE.81): Consideration of hydroxypropenylbenzenes evaluated by JECFA (61st meeting) structurally related to 2-methoxy-4-(prop-1-enyl)phenyl 3-methylbutyrate from chemical group 17 evaluated by EFSA in FGE.30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 30, Revision 1 (FGE.30Rev1): 4-Prop-1-enylphenol and 2-methoxy-4-(prop-1-enyl)phenyl 3-methylbutyrate from chemical group 17
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):93-29-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7137
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(2-methoxy-4-prop-1-enylphenyl) acetate
Chemidplus:0000093298
RTECS:SL7940000 for cas# 93-29-8