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    General Material Information
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acetoin acetate

Chemical Structure

General Material Information

Preferred name acetoin acetate
Trivial Name Acetoin acetate
Short Description 2-acetoxy-3-butanone
Formula C6 H10 O3
CAS Number 4906-24-5
FEMA Number 3526
Flavis Number 9.186
FDA UNII 2L4E9Q73KY
Nikkaji Number J261.055H
MDL MFCD00051782
COE Number 608
xLogP3-AA 0.30 (est)
NMR Predictor External link
JECFA Food Flavoring 406 2-acetoxy-3-butanone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 4906-24-5 ; ACETYL METHYL CARBINYL ACETATE
Synonyms
  • acetic acid 1-methyl-2-oxopropyl ester
  • acetoin acetate natural
  • 3-acetoxy-2-butanone
  • 2-acetoxy-3-butanone
  • 2-acetoxyl-3-butanone
  • acetoyl acetate
  • acetyl methyl carbinyl acetate
  • 3-( acetyl oxy)-2-butanone
  • acetylacetoin
  • 3-( acetyloxy)-2-butanone
  • amc acetate
  • 3-oxo butan-2-yl acetate
  • butan-3-one-2-yl acetate
  • sec- butan-3-onyl acetate
  • 2-butanon-3-ol, acetate
  • 2-butanon-3-yl acetate
  • 2-butanone, 3-(acetyloxy)-
  • 3-hydroxy-2-butanone acetate
  • 1-methyl-2-oxopropyl acetate
  • 3-oxobutan-2-yl acetate
  • 2-Butanone, 3-(acetyloxy)-
  • 2-Butanone, 3-hydroxy-, acetate
  • 3-(Acetyloxy)-2-butanone
  • 3-Acetoxy-2-butanone
  • 3-Acetyloxy-2-butanone
  • 2-Acetoxy-3-butanone

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):HMDB33698
FooDB:FDB011808
Export Tariff Code:2914.19.9090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 130.14329528809
Specific gravity @ 25 °C
Pounds per Gallon 8.504 to 8.587
Refractive Index 1.405 to 1.415 @ 20 °C
Boiling Point 74 to 75°C @ 20 mm Hg
Boiling Point 116 to 118°C @ 760 mm Hg
Acid Value 0.5 max KOH/g
Vapor Pressure 2.069 mmHg @ 25 °C
Flash Point TCC Value 65.56 °C TCC
logP (o/w) 0.68 est
Shelf life 12 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
water, very slightly Yes
water, 5.921e+004 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
pungent, sweet, creamy, buttery, fruity, estery, chemical, pineapple, apple, banana, ketonic
General comment At 10.00 % in propylene glycol. pungent sweet creamy buttery
Mosciano, Gerard P&F 23, No. 4, 33, (1998) At 5.00 %. Sweet, fruity, estry, chemical, pineapple, apple, banana with a ketonic nuance
Flavor Type: Fruity
fruity, fleshy, rummy, grape, winey
Mosciano, Gerard P&F 23, No. 4, 33, (1998) At 100.00 ppm. Fruity body, fleshy, rumy, grape, winey

Occurrences

Potential Uses

Applications
Odor purposes Almond, Almond, Apple, Crabapple, Apple green apple, Apple red apple, Apricot, Arnica flower, Banana, Carob bean locust bean, Berry, Berry jam, Blackberry, Blueberry, Boronia, Boxwood berry, Boysenberry, Bramble arctic bramble blackberry, Bubble gum, Butter, Cherry, Cherry black cherry, Chocolate, Cognac, Cream, Currant, Currant black currant, Currant red currant, Date, Davana oil replacer, Eglantine, Elder berry, Fig, Fruit, Fruit juicy fruit, Gooseberry, Grape, Grape concord grape, Guava, Hibiscus, Honeydew, Huckleberry, Immortelle, Iris blossom, Kiwi, Loganberry, Lychee, Mango, Marigold, Melon, Melon, Mulberry, Myrtle oil replacer, Orange bitter orange peel, Osmanthus, Papaya, Passion blossom, Passion fruit, Peach, Pear, Pineapple, Plum, Plum mirabelle plum, Pomegranate, Prune, Quince, Raisin, Raspberry, Raspberry black raspberry, Rue, Sherry, Stephanotis, Strawberry, Tangerine, Valerian, Watermelon, Wine
Flavoring purposes Brandy apple brandy, Arrack, Carob bean locust bean, Brandy apricot brandy, Butter rum, Cherry maraschino cherry, Cherry wild cherry, Chocolate cacao, Chocolate cocoa, Cloudberry bakeapple, Cream ice cream, Cream sour cream, Custard, Durian, Egg nog, Fruit punch, Fruit tropical fruit, Ghee, Grape white grape, Immortelle, Jackfruit, Marigold, Orange bitter orange peel, Pear bartlett pear, Pear emperor pear, Plum greengage plum, Raspberry red raspberry, Rue, Rum butter, Saki, Soda cream soda, Tequila, Valerian, Vermouth, Whiskey, Yogurt
Other purposes Fruit dried fruit, Fruit jam, Jam, Plum jam, Raspberry green raspberry, Raspberry jam, Ripe, Rose wild rose, Strawberry jam

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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 acetoin acetate usage levels up to:
0.3000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.024 (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: 11
Click here to view publication 11
average usual ppmaverage maximum ppm
baked goods: -49.30000
beverages(nonalcoholic): -20.00000
beverages(alcoholic): -20.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -20.00000
fruit ices: --
gelatins / puddings: -20.00000
granulated sugar: --
gravies: --
hard candy: --
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: -47.80000
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 11 (FGE.11): Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 11, Revision 1 (FGE.11Rev1) - Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Safety and efficacy of secondary aliphatic saturated or unsaturated alcohols, ketones, ketals and esters with a second secondary or tertiary oxygenated functional group belonging to chemical group 10 when used as flavourings for all animal species
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 :521246
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
3-oxobutan-2-yl acetate
Chemidplus:0004906245