Record Information
Version1.0
Creation date2015-10-09 22:28:58 UTC
Update date2017-01-19 02:36:15 UTC
FoodComEx IDPC000163
FoodDB RecordFDB003383
Chemical Information
Name2-Butanone
Description2-Butanone or Butanone, also known as methylethylketone or MEK, belongs to the class of organic compounds known as ketones. It is an organic compound with the formula CH3C(O)CH2CH3. Ketones 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. Thus, butanone is considered to be an oxygenated hydrocarbon lipid molecule. Butanone is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. It has been isolated from hop oil (Humulus lupulus), white clover (Trifolium repens), tea, tomatoes, various fruits and other vegetable sources. It is used in the refining and extraction of fats and oils. Butanone is an irritant, but serious health effects in animals have been seen only at very high levels. When inhaled, these effects included birth defects. Butanone occurs as a natural product. It is produced by some trees and found in some fruits and vegetables in small amounts. It is also released to the air from car and truck exhausts. The known health effects to people from exposure to butanone are irritation of the nose, throat, skin, and eyes. This colorless liquid has a sharp, sweet odor, reminiscent of butterscotch and acetone. It is produced industrially at a large scale, and also occurs in trace amounts in nature.
CAS Number78-93-3
Structure
Thumb
Synonyms
SynonymSource
2-butanalbiospider
2-Butanonbiospider
2-butanone (MEKbiospider
2-butanone (MEK)biospider
2-Oxobutanedb_source
3-Butanonebiospider
Acetone, methyl-biospider
Aethylmethylketonbiospider
butan-2-onebiospider
Butanonebiospider
Butanone 2biospider
C2H5COCH3biospider
Ethyl methyl cetoneChEBI
Ethyl methyl cetonebiospider
Ethyl methyl ketonedb_source
Ethyl(methyl) ketoneChEBI
Ethylmethyl ketoneChEBI
Ethylmethylcetonebiospider
Ethylmethylketonbiospider
Ethylmethylketonebiospider
FEMA 2170db_source
ghl.PD_Mitscher_leg0.417biospider
HSDB 99biospider
Ketone, ethyl methylbiospider
Ketone, methyl ethylbiospider
Meetcobiospider
MEKdb_source
Meketonebiospider
Methyl acetonebiospider
Methyl ethyl cetonebiospider
Methyl ethyl ketonedb_source
Methyl ethyl ketone)biospider
Methyl(ethyl) ketoneChEBI
Methylacetonebiospider
Methylethyl ketonebiospider
Methylethylketonbiospider
Methylethylketonebiospider
Metiletilcetonabiospider
Metiletilchetonebiospider
Metyl ethyl ketonebiospider
Metyloetyloketonbiospider
Oxobutanebiospider
Chemical FormulaC4H8O
IUPAC namebutan-2-one
InChI IdentifierInChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
InChI KeyZWEHNKRNPOVVGH-UHFFFAOYSA-N
Isomeric SMILESCCC(C)=O
Average Molecular Weight72.1057
Monoisotopic Molecular Weight72.057514878
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 logP0.29HANSCH,C ET AL. (1995)
Experimental Water Solubility223 mg/mL at 25 oCTAFT,RW et al. (1985)
Melting PointFp -85.9°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 300 mg
Delivery TimeNot Available
Storage Formliquid
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
Toronto Research Chemicals B689480