Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:54:45 UTC
Update Date2022-08-31 22:36:53 UTC
MiMeDB IDMMDBc0033588
Metabolite Identification
Common NameAcetophenone
DescriptionAcetophenone is the organic compound with the formula C6H5C(O)CH3. It is the simplest aromatic ketone. This colourless, viscous liquid is a precursor to useful resins and fragrances. Acetophenone is found in chicory. Acetophenone is a flavouring ingredient used in fruit flavours. Acetophenone is a raw material for the synthesis of some pharmaceuticals and is also listed as an approved excipient by the U.S. FDA. In a 1994 report released by five top cigarette companies in the U.S., acetophenone was listed as one of the 599 additives to cigarettes.
Structure
SynonymsNot Available
Chemical FormulaC8H8O
Average Molecular Weight120.1485
Monoisotopic Molecular Weight120.057514878
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number98-86-2
SMILESNot Available
InChI Identifier
InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
InChI KeyKWOLFJPFCHCOCG-UHFFFAOYSA-N