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CHEBI:16101 - ethylbenzene

Default Structure
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
Roles Classification
Chemical Role:
plastic filler  an additive to a plastic that increases its mass
Application:
plastic filler  an additive to a plastic that increases its mass
ChEBI Ontology
Outgoing Relation(s)
ethylbenzene (CHEBI:16101) has role plastic filler (CHEBI:747333)
ethylbenzene (CHEBI:16101) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
ethylbenzene
Synonyms  Source
ÄthylbenzolChEBI
EthylbenzeneKEGG COMPOUND
EthylbenzolKEGG COMPOUND
EthylenzeneKEGG COMPOUND
PhenylethaneKEGG COMPOUND
PHENYLETHANEPDBeChem
UniProt Name  Source
ethylbenzeneUniProt
Manual XrefsDatabases
c0116UM-BBD
C07111KEGG COMPOUND
DB01722DrugBank
EthylbenzeneWikipedia
ETHYLBENZENEMetaCyc
HMDB0059905HMDB
Registry NumbersSources
Reaxys:1901871Reaxys
Gmelin:2990Gmelin
CAS:100-41-4KEGG COMPOUND
CAS:100-41-4NIST Chemistry WebBook