CHEBI:16101 - ethylbenzene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ethylbenzene
ChEBI ID CHEBI:16101
Definition An alkylbenzene carrying an ethyl substituent. It is a constituent of coal tar and petroleum.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:45136, CHEBI:4898, CHEBI:14229, CHEBI:23999
Supplier Information
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C8H10
Net Charge 0
Average Mass 106.16500
Monoisotopic Mass 106.078
InChI InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey YNQLUTRBYVCPMQ-UHFFFAOYSA-N
SMILES CCc1ccccc1
ChEBI Ontology
Outgoing ethylbenzene (CHEBI:16101) is a alkylbenzene (CHEBI:38976)
IUPAC Name
ethylbenzene
Synonyms Sources
α-methyltoluene NIST Chemistry WebBook
Äthylbenzol ChEBI
Ethylbenzene KEGG COMPOUND
ethylbenzene UniProt
Ethylbenzol KEGG COMPOUND
Ethylenzene KEGG COMPOUND
Phenylethane KEGG COMPOUND
PHENYLETHANE PDBeChem
Database Links Databases
c0116 UM-BBD
C07111 KEGG COMPOUND
DB01722 DrugBank
Ethylbenzene Wikipedia
ETHYLBENZENE MetaCyc
HMDB0059905 HMDB
View more database links
Registry Numbers Types Sources
100-41-4 CAS Registry Number NIST Chemistry WebBook
1901871 Beilstein Registry Number Beilstein
1901871 Reaxys Registry Number Reaxys
2990 Gmelin Registry Number Gmelin
Last Modified
13 November 2017