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diacetyl
General Material Information
| Preferred name | diacetyl |
| Trivial Name | Butanedione |
| Short Description | 2,3-butanedione |
| Formula | C4 H6 O2 |
| CAS Number | 431-03-8 |
| FEMA Number | 2370 |
| Flavis Number | 7.052 |
| ECHA Number | 207-069-8 |
| FDA UNII | K324J5K4HM |
| Nikkaji Number | J2.586K |
| Beilstein Number | 0605398 |
| MDL | MFCD00008756 |
| COE Number | 752 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 408 diacetyl |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 431-03-8 ; DIACETYL |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| 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 |
Literature & References
| butane-2,3-dione | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 431-03-8 |
| Pubchem (cid): | 650 |
| Pubchem (sid): | 134974156 |
| Flavornet: | 431-03-8 |
| Pherobase: | View |
| Publications by Info | |
| Diacetyl | |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| Golm Metabolome Database: | Search |
| KEGG (GenomeNet): | C00741 |
| HMDB (The Human Metabolome Database): | HMDB03407 |
| FooDB: | FDB011930 |
| YMDB (Yeast Metabolome Database): | YMDB00367 |
| Export Tariff Code: | 2914.19.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •grades: technical; flavor grade; fcc | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 86.090217590332 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.146 to 8.196 |
| Refractive Index | 1.393 to 1.397 @ 20 °C |
| Boiling Point | 87 to 88°C @ 760 mm Hg |
| Vapor Pressure | 56.8 mmHg @ 25 °C |
| Vapor Density | 2.9 |
| Flash Point TCC Value | 7.22 °C TCC |
| logP (o/w) | -1.34 |
| Solubility | |
| alcohol | Yes |
| fixed oils | Yes |
| glycerin | Yes |
| propylene glycol | Yes |
| water, 200000 mg/L @ 15 °C (exp) | Yes |
| paraffin oil | No |
Organoleptic Properties
| Odor Type: Buttery | |
| buttery, sweet, creamy, pungent, caramellic | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | 44 hour(s) at 10.00 % in dipropylene glycol |
| General comment | At 1.00 % in propylene glycol. strong butter sweet creamy pungent caramel |
| Mosciano, Gerard P&F 16, No. 6, 43, (1991) | Sweet, creamy, buttery, pungent, with a pungent caramellic nuance |
| Flavor Type: Buttery | |
| sweet, buttery, creamy, milky | |
| Mosciano, Gerard P&F 16, No. 6, 43, (1991) | At 50.00 ppm. Sweet, buttery, creamy, milky |
| General comment | Strong, butter in dilution |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Angelica , Azalea , Bayberry , Caraway seed , Champaca , Citronella , Clary sage oil replacer , Cypress oil replacer , Gardenia , Geranium , Lavandin , Lavender , Lilac , Magnolia , Narcissus , Nutmeg , Orris , Patchouli oil replacer , Sandalwood , Savin , Tulip , Vetiver , Ylang ylang |
| Flavoring purposes | Angelica , Banana , Beer , Butter , Butterscotch , Caramel , Caraway seed , Cheese cheddar cheese , Cheese swiss cheese , Chicory root , Coffee , Cranberry , Cream , Custard , Dairy , Jasmin , Savin , Strawberry , Sugar brown sugar , Tomato , Vinegar , Yogurt |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 11 - Highly flammable. R 20/22 - Harmful by inhalation and if swallowed. R 38 - Irritating to skin. R 41 - Risk of serious damage to eyes. 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 39 - Wear 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. | |
| Human Experience: | |
| 2 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| gavage-rat LD50 [sex: M,F] M:3400, F:3000 mg/kg (Colley et al., 1969) gavage-rat LD50 1580 mg/kg (Jenner et al., 1964) gavage-guinea pig LD50 990 mg/kg (Jenner et al., 1964) oral-guinea pig LD50 990 mg/kg LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: COMA BEHAVIORAL: ATAXIA Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. intraperitoneal-rat LD50 400 mg/kg BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION Food and Cosmetics Toxicology. Vol. 7, Pg. 571, 1969. oral-rat LD50 1580 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 765, 1979. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavoring agents | |||
| Recommendation for diacetyl usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 2200.00 (μg/capita/day) | ||
| Structure Class: | II | ||
| 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: | - | 44.00000 | |
| beverages(nonalcoholic): | - | 2.50000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 35.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | 11.00000 | |
| fish products: | - | - | |
| frozen dairy: | - | 5.90000 | |
| fruit ices: | - | 5.90000 | |
| gelatins / puddings: | - | 19.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 21.00000 | |
| 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 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 |
| Scientific Opinion on Flavouring Group Evaluation 11, Revision 2 (FGE.11Rev2): Aliphatic dialcohols, diketones, and hydroxyketones from chemical groups 8 and 10 View page or View pdf |
| Evaluation of a scientific publication associating diacetyl with enhancement of ß-amyloid-induced neurotoxicity 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 |
| NIOSH International Chemical Safety Cards:search |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):431-03-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :650 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2346 |
| WGK Germany:2 |
| butane-2,3-dione |
| Chemidplus:0000431038 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:431-03-8 |