CHEBI:77512 - 3-ethyltoluene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-ethyltoluene
ChEBI ID CHEBI:77512
Definition A derivative of toluene bearing an additional ethyl substituent at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Jen Hammock
Secondary ChEBI IDs CHEBI:34333
Supplier Information
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Formula C9H12
Net Charge 0
Average Mass 120.19160
Monoisotopic Mass 120.09390
InChI InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKey ZLCSFXXPPANWQY-UHFFFAOYSA-N
SMILES CCc1cccc(C)c1
ChEBI Ontology
Outgoing 3-ethyltoluene (CHEBI:77512) is a toluenes (CHEBI:27024)
IUPAC Name
1-ethyl-3-methylbenzene
Synonyms Sources
1-Methyl-3-ethylbenzene ChemIDplus
m-Ethylmethylbenzene ChemIDplus
m-Ethyltoluene ChemIDplus
m-Methylethylbenzene ChemIDplus
Manual Xref Database
C14522 KEGG COMPOUND
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Registry Numbers Types Sources
620-14-4 CAS Registry Number KEGG COMPOUND
620-14-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
3711022 PubMed citation Europe PMC
7216999 PubMed citation Europe PMC
Last Modified
12 March 2014