Record Information
Creation date2015-10-09 22:31:48 UTC
Update date2017-01-19 02:36:32 UTC
FoodComEx IDPC000656
FoodDB RecordNot Available
Chemical Information
DescriptionDiacetyl, also known as 2,3-butanedione or dimethylglyoxal, is a member of the class of compounds known as alpha-diketones. Alpha-diketones are organic compounds containing two ketone groups on two adjacent carbon atoms. Thus, diacetyl is considered to be an oxygenated hydrocarbon lipid molecule. Diacetyl is soluble (in water) and an extremely weak acidic compound (based on its pKa). Diacetyl is a strong, sweet, and butter tasting compound and can be found in a number of food items such as durian, italian sweet red pepper, giant butterbur, and millet, which makes diacetyl a potential biomarker for the consumption of these food products. Diacetyl can be found primarily in feces and saliva, as well as in human gonads, neuron and skeletal muscle tissues. Diacetyl exists in all living species, ranging from bacteria to humans. Diacetyl is a non-carcinogenic (not listed by IARC) potentially toxic compound. Diacetyl (IUPAC systematic name: butanedione or butane-2,3-dione) is an organic compound with the chemical formula (CH3CO)2. It is a yellow or green liquid with an intensely buttery flavor. It is a vicinal diketone (two C=O groups, side-by-side) with the molecular formula C4H6O2. Diacetyl occurs naturally in alcoholic beverages and is added to some foods to impart its buttery flavor . If the compound has been ingested, rapid gastric lavage should be performed using 5% sodium bicarbonate. For skin contact, the skin should be washed with soap and water. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. In serious cases, atropine and/or pralidoxime should be administered. Anti-cholinergic drugs work to counteract the effects of excess acetylcholine and reactivate AChE. Atropine can be used as an antidote in conjunction with pralidoxime or other pyridinium oximes (such as trimedoxime or obidoxime), though the use of '-oximes' has been found to be of no benefit, or possibly harmful, in at least two meta-analyses. Atropine is a muscarinic antagonist, and thus blocks the action of acetylcholine peripherally (T3DB).
CAS Number431-03-8
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
Isomeric SMILESCC(=O)C(C)=O
Average Molecular Weight86.0892
Monoisotopic Molecular Weight86.036779436
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha-diketones. These are organic compounds containing two ketone groups on two adjacent carbon atoms.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentAlpha-diketones
Alternative Parents
  • Alpha-diketone
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request
Delivery TimeNot Available
Storage Formliquid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez
Commercial Vendors
Toronto Research Chemicals B690030