CHEBI:42630 - propylbenzene

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ChEBI Name propylbenzene
ChEBI ID CHEBI:42630
Definition An alkylbenzene that is benzene having one of its aromatic hydrogens substituted by a propyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB1128336, eMolecules:512454, ZINC000001747837
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Formula C9H12
Net Charge 0
Average Mass 120.19160
Monoisotopic Mass 120.09390
InChI InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKey ODLMAHJVESYWTB-UHFFFAOYSA-N
SMILES CCCc1ccccc1
ChEBI Ontology
Outgoing propylbenzene (CHEBI:42630) is a alkylbenzene (CHEBI:38976)
Incoming 1-phenyl-1,2-propanedione (CHEBI:63552) has parent hydride propylbenzene (CHEBI:42630)
IUPAC Name
propylbenzene
Synonyms Sources
1-Phenylpropane ChemIDplus
1-Propylbenzene ChemIDplus
Isocumene NIST Chemistry WebBook
n-Propylbenzene ChemIDplus
Phenylpropane ChemIDplus
Manual Xref Database
HMDB0059877 HMDB
View more database links
Registry Numbers Types Sources
103-65-1 CAS Registry Number ChemIDplus
103-65-1 CAS Registry Number NIST Chemistry WebBook
1903006 Reaxys Registry Number Reaxys
Citations
Stevenson PG, Bassanese DN, Conlan XA, Barnett NW (2014)
Improving peak shapes with counter gradients in two-dimensional high performance liquid chromatography.
Journal of chromatography. A 1337, 147-154 [PubMed:24636564]
[show Abstract]
Fanali S, Rocchi S, Chankvetadze B (2013)
Use of novel phenyl-hexyl core-shell particles in nano-LC.
Electrophoresis 34, 1737-1742 [PubMed:23423853]
[show Abstract]
Last Modified
23 October 2015