Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:425902 - propiophenone
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
propiophenone
ChEBI ID
CHEBI:425902
Definition
An aromatic ketone in which the two substituents on the carbonyl C atom are phenyl and ethyl.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Wikipedia
License
Read full article at Wikipedia
Formula
C9H10O
Net Charge
0
Average Mass
134.17510
Monoisotopic Mass
134.07316
InChI
InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey
KRIOVPPHQSLHCZ-UHFFFAOYSA-N
SMILES
CCC(=O)c1ccccc1
Roles Classification
Application
(s):
fragrance
A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
propiophenone (
CHEBI:425902
)
has role
fragrance (
CHEBI:48318
)
propiophenone (
CHEBI:425902
)
is a
aromatic ketone (
CHEBI:76224
)
Incoming
2,3-diacetoxypropioveratrone (
CHEBI:86538
)
has functional parent
propiophenone (
CHEBI:425902
)
2-aminopropiophenone (
CHEBI:59332
)
has functional parent
propiophenone (
CHEBI:425902
)
2-hydroxy-1-phenyl-1-propanone (
CHEBI:63553
)
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
Sources
1-Phenyl-1-propanone
ChemIDplus
1-Phenyl-propan-1-one
ChEMBL
1-phenylpropan-1-one
UniProt
Ethyl phenyl ketone
ChemIDplus
Phenyl ethyl ketone
ChemIDplus
Propionphenone
NIST Chemistry WebBook
Propionylbenzene
ChemIDplus
Manual Xrefs
Databases
CN101759540
Patent
HMDB0032623
HMDB
I1E
PDBeChem
Propiophenone
Wikipedia
View more database links
Registry Numbers
Types
Sources
606215
Reaxys Registry Number
Reaxys
93-55-0
CAS Registry Number
ChemIDplus
93-55-0
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
17314143
PubMed citation
Europe PMC
24302226
PubMed citation
Europe PMC
Last Modified
26 May 2020