Record Information
Version1.0
Creation date2015-10-09 22:31:02 UTC
Update date2017-01-19 02:36:26 UTC
FoodComEx IDPC000508
FoodDB RecordFDB008301
Chemical Information
NameAcetone
DescriptionAcetone or 2-propanone, also known as dimethyl ketone, belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Acetone is neutral molecule that is miscible in water. It readily dissolves in other organic solvents such as ethanol, methanol and diethyl ether. It occurs naturally in plants, trees, volcanic gases, forest fires, and is present in vehicle exhaust, alcoholic beverages, tobacco smoke, and landfill sites. Within the body small amounts of acetone are produced by the decarboxylation of ketone bodies (acetoacetate, beta-hydroxybutyrate). Certain dietary patterns, including prolonged fasting and high-fat low-carbohydrate dieting, can produce ketosis, in which acetone is formed in body tissue. More specifically, acetone can be produced from the oxidation of ingested isopropanol, or from the spontaneous/enzymatic breakdown of acetoacetate (a ketone body) in ketotic individuals. In humans acetone can be metabolized either by CYP2E1 via methylglyoxal to D-lactate and pyruvate (PMID 4285478). In addition to its presence in humans, acetone is found in a variety of foods and plants. Acetone has been rated as a generally recognized as safe (GRAS) substance when present in beverages, baked foods, desserts, and preserves at concentrations ranging from 5 to 8 mg/L. It is used as a flavor enhancer for sweetners in pickling mixes. Acetone is widely used as an organic solvent and is the active ingredient in nail polish remover and as paint thinner. Acetone has been studied extensively and is believed to exhibit only slight toxicity in normal use. There is no strong evidence of chronic health effects if basic precautions are followed
CAS Number67-64-1
Structure
Thumb
Synonyms
SynonymSource
(CH3)2CObiospider
β-ketopropanebiospider
2-PropanoneChEBI
2-Propanone, 9CIdb_source
AcetonChEBI
Acetone oilbiospider
Acetonumbiospider
AzetonChEBI
b-KetopropaneGenerator
beta-KetopropaneChEBI
Dimethyl ketonedb_source
DimethylcetoneChEBI
DimethylformaldehydeHMDB
DimethylketonChEBI
DimethylketoneChEBI
FEMA 3326db_source
Methyl ketoneChEBI
PropanonChEBI
PropanoneChEBI
Pyroacetic etherChEBI
Sasetonebiospider
β-ketopropaneGenerator
Chemical FormulaC3H6O
IUPAC namepropan-2-one
InChI IdentifierInChI=1S/C3H6O/c1-3(2)4/h1-2H3
InChI KeyCSCPPACGZOOCGX-UHFFFAOYSA-N
Isomeric SMILESCC(C)=O
Average Molecular Weight58.0791
Monoisotopic Molecular Weight58.041864814
Chemical Taxonomy
Description belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentKetones
Alternative Parents
Substituents
  • Ketone
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP-0.24HANSCH,C ET AL. (1995)
Experimental Water Solubility1000 mg/mL at 25 oCRIDDICK,JA et al. (1986)
Melting PointMp -94°DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 10 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
Glentham GK3021
Glentham GK3913
Toronto Research Chemicals A163800