EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:42630 - propylbenzene

ChEBI IDCHEBI:42630
ChEBI Namepropylbenzene
Stars
DefinitionAn alkylbenzene that is benzene having one of its aromatic hydrogens substituted by a propyl group.
Last Modified23 October 2015
DownloadsMolfile
FormulaC9H12
Net Charge0
Average Mass120.195
Monoisotopic Mass120.09390
SMILESCCCc1ccccc1
InChIInChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKeyODLMAHJVESYWTB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
propylbenzene (CHEBI:42630) is a alkylbenzene (CHEBI:38976)
Incoming Relation(s)
1-phenyl-1,2-propanedione (CHEBI:63552) has parent hydride propylbenzene (CHEBI:42630)
IUPAC Name 
propylbenzene
Synonyms  Source
1-PhenylpropaneChemIDplus
1-PropylbenzeneChemIDplus
n-PropylbenzeneChemIDplus
PhenylpropaneChemIDplus
IsocumeneNIST Chemistry WebBook
Manual XrefsDatabases
HMDB0059877HMDB
Registry NumbersSources
Reaxys:1903006Reaxys
CAS:103-65-1ChemIDplus
CAS:103-65-1NIST Chemistry WebBook
Citations