Preferred name | acetoin |
Trivial Name | Acetoin |
Short Description | 3-hydroxy-2-butanone |
Formula | C4 H8 O2 |
CAS Number | 513-86-0 |
Deleted CAS Number | 52217-02-4 |
FEMA Number | 2008 |
Flavis Number | 7.051 |
ECHA Number | 208-174-1 |
FDA UNII | BG4D34CO2H |
Nikkaji Number | J2.623I |
Beilstein Number | 0385636 |
MDL | MFCD00004521 |
COE Number | 749 |
xLogP3-AA | -0.30 (est) |
Bio Activity Summary | External link |
NMR Predictor | External link |
JECFA Food Flavoring | 405 acetoin |
FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
FDA Mainterm | 513-86-0 ; ACETOIN |
Synonyms |
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Google Scholar | Start search |
Google Books | Start search |
Google Patents | Start search |
Perfumer & Flavorists | Start search |
EU Patents | Start search |
PubMeb | Start search |
NCBI | Start search |
3-hydroxybutan-2-one | |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 513-86-0 |
Pubchem (cid): | 179 |
Pubchem (sid): | 134978397 |
Flavornet: | 513-86-0 |
Pherobase: | View |
(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 |
CHEBI: | View |
KEGG (GenomeNet): | C00466 |
HMDB (The Human Metabolome Database): | HMDB03243 |
FooDB: | FDB011799 |
Export Tariff Code: | 2914.40.9000 |
Typical G.C. | |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
Wikipedia: | View |
Formulations/Preparations: grades: technical, fcc (as acetoin). |
Material listed in food chemical codex | Yes |
Molecular weight | 88.106163024902 |
Specific gravity | @ 25 °C |
Pounds per Gallon | 8.279 to 8.479 |
Refractive Index | 1.417 to 1.422 @ 20 °C |
Melting Point | 90 to 91°C @ 760 mm Hg |
Boiling Point | 147 to 148°C @ 760 mm Hg |
Vapor Pressure | 2.69 mmHg @ 25 °C |
Vapor Density | 3 |
Flash Point TCC Value | 45 °C TCC |
logP (o/w) | -0.36 |
Shelf life | 12 months (or longer if stored properly.) |
Storage notes | Refrigerate in tightly sealed containers. |
Solubility | |
alcohol | Yes |
propylene glycol | Yes |
water, 1000000 mg/L @ 20 °C (exp) | Yes |
fixed oils | No |
Odor Type: Buttery | |
sweet, buttery, creamy, dairy, milky, fatty | |
Odor strength | high , recommend smelling in a 1.00 % solution or less |
Substantivity | 28 hour(s) at 100.00 % |
Luebke, William tgsc, (2017) | At 1.00 % in dipropylene glycol. sweet buttery creamy dairy milky fatty |
Flavor Type: Creamy | |
creamy, dairy, sweet, oily, milky, buttery, yogurt | |
Luebke, William tgsc, (2017) | Creamy dairy sweet oily milky buttery |
(data available) |
Applications | |
Odor purposes | Apple , Banana , Butter , Butterscotch , Citrus , Coconut , Coffee , Cream , Currant , Fruit , Honey , Mint , Orange , Pear , Plum , Raspberry , Strawberry , Wine |
Flavoring purposes | Bread white bread , Caramel , Carrot , Cheese cheddar cheese , Chicken , Chocolate cocoa , Corn , Fish , Meat , Milk , Pea green pea , Tomato , Vinegar , Whiskey |
Cosmetic purposes | Perfuming agents |
Preferred SDS: View | |
European information : | |
Most important hazard(s): | |
Xi - Irritant | |
R 10 - Flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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) | |
Skin irritation (Category 2), H315 Eye irritation (Category 2A), H319 | |
GHS Label elements, including precautionary statements | |
Pictogram | ![]() ![]() |
Signal word | Warning |
Hazard statement(s) | |
H228 - Flammable solid H315 - Causes skin irritation H319 - Causes serious eye irritation | |
Precautionary statement(s) | |
P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P240 - Ground/bond container and receiving equipment. P241 - Use explosion-proof electrical/ventilating/lighting/…/equipment. P264 - Wash skin thouroughly after handling. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. 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. P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction. | |
Oral/Parenteral Toxicity: | |
oral-rat LD50 > 5000 mg/kg (Moreno, 1977d) oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 509, 1979. | |
Dermal Toxicity: | |
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 509, 1979. | |
Inhalation Toxicity: | |
Not determined |
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 usage levels up to: | |||
0.0300 % in the fragrance concentrate. | |||
Maximised Survey-derived Daily Intakes (MSDI-EU): | 2300.00 (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: 3 | |||
Click here to view publication 3 | |||
average usual ppm | average maximum ppm | ||
baked goods: | - | 32.00000 | |
beverages(nonalcoholic): | - | 7.40000 | |
beverages(alcoholic): | - | - | |
breakfast cereal: | - | - | |
cheese: | - | - | |
chewing gum: | - | - | |
condiments / relishes: | - | - | |
confectionery froastings: | - | - | |
egg products: | - | - | |
fats / oils: | 0.80000 | 50.00000 | |
fish products: | - | - | |
frozen dairy: | - | 3.30000 | |
fruit ices: | - | 3.30000 | |
gelatins / puddings: | 0.60000 | 21.00000 | |
granulated sugar: | - | - | |
gravies: | - | - | |
hard candy: | - | 18.00000 | |
imitation dairy: | - | - | |
instant coffee / tea: | - | - | |
jams / jellies: | - | - | |
meat products: | - | - | |
milk products: | - | 7.00000 | |
nut products: | - | - | |
other grains: | - | - | |
poultry: | - | - | |
processed fruits: | - | - | |
processed vegetables: | - | - | |
reconstituted vegetables: | - | - | |
seasonings / flavors: | - | - | |
snack foods: | - | - | |
soft candy: | - | - | |
soups: | - | - | |
sugar substitutes: | - | - | |
sweet sauces: | - | - |
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 |
Chemical Carcinogenesis Research Information System:Search |
AIDS Citations:Search |
Cancer Citations:Search |
Toxicology Citations:Search |
EPA Substance Registry Services (TSCA):513-86-0 |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :179 |
National Institute of Allergy and Infectious Diseases:Data |
WISER:UN 2621 |
WGK Germany:1 |
3-hydroxybutan-2-one |
Chemidplus:0000513860 |
EPA/NOAA CAMEO:hazardous materials |
RTECS:EL8790000 for cas# 513-86-0 |