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CHEBI:16101 - ethylbenzene

ChEBI IDCHEBI:16101
ChEBI Nameethylbenzene
Stars
DefinitionAn alkylbenzene carrying an ethyl substituent. It is a constituent of coal tar and petroleum.
Secondary ChEBI IDsCHEBI:4898, CHEBI:14229, CHEBI:23999, CHEBI:45136
Last Modified13 November 2017
DownloadsMolfile
FormulaC8H10
Net Charge0
Average Mass106.168
Monoisotopic Mass106.07825
SMILESCCc1ccccc1
InChIInChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyYNQLUTRBYVCPMQ-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
ethylbenzene (CHEBI:16101) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
ethylbenzene
Synonyms  Source
EthylbenzeneKEGG COMPOUND
PhenylethaneKEGG COMPOUND
EthylbenzolKEGG COMPOUND
EthylenzeneKEGG COMPOUND
PHENYLETHANEPDBeChem
ÄthylbenzolChEBI
UniProt Name  Source
ethylbenzeneUniProt
Manual XrefsDatabases
C07111KEGG COMPOUND
c0116UM-BBD
DB01722DrugBank
ETHYLBENZENEMetaCyc
HMDB0059905HMDB
EthylbenzeneWikipedia
Registry NumbersSources
Gmelin:2990Gmelin
Reaxys:1901871Reaxys
CAS:100-41-4KEGG COMPOUND
CAS:100-41-4NIST Chemistry WebBook