EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:425902 - propiophenone

ChEBI IDCHEBI:425902
ChEBI Namepropiophenone
Stars
DefinitionAn aromatic ketone in which the two substituents on the carbonyl C atom are phenyl and ethyl.
Last Modified26 May 2020
DownloadsMolfile
FormulaC9H10O
Net Charge0
Average Mass134.178
Monoisotopic Mass134.07316
SMILESCCC(=O)c1ccccc1
InChIInChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyKRIOVPPHQSLHCZ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Application:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
ChEBI Ontology
Outgoing Relation(s)
propiophenone (CHEBI:425902) has role fragrance (CHEBI:48318)
propiophenone (CHEBI:425902) is a aromatic ketone (CHEBI:76224)
Incoming Relation(s)
2-aminopropiophenone (CHEBI:59332) has functional parent propiophenone (CHEBI:425902)
2-hydroxy-1-phenyl-1-propanone (CHEBI:63553) has functional parent propiophenone (CHEBI:425902)
2,3-diacetoxypropioveratrone (CHEBI:86538) has functional parent propiophenone (CHEBI:425902)
4-methylpropiophenone (CHEBI:59335) has functional parent propiophenone (CHEBI:425902)
diethylpropion (CHEBI:4530) has functional parent propiophenone (CHEBI:425902)
mephedrone (CHEBI:59331) has functional parent propiophenone (CHEBI:425902)
IUPAC Name 
1-phenylpropan-1-one
Synonyms  Source
1-Phenyl-1-propanoneChemIDplus
1-Phenyl-propan-1-oneChEMBL
Ethyl phenyl ketoneChemIDplus
Phenyl ethyl ketoneChemIDplus
PropionphenoneNIST Chemistry WebBook
PropionylbenzeneChemIDplus
UniProt Name  Source
1-phenylpropan-1-oneUniProt
Manual XrefsDatabases
CN101759540Patent
HMDB0032623HMDB
I1EPDBeChem
PropiophenoneWikipedia
Registry NumbersSources
Reaxys:606215Reaxys
CAS:93-55-0ChemIDplus
CAS:93-55-0NIST Chemistry WebBook
Citations