CHEBI:28063 - o-xylene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name o-xylene
ChEBI ID CHEBI:28063
ChEBI ASCII Name o-xylene
Definition A xylene substituted by methyl groups at positions 1 and 3.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:44697, CHEBI:10611, CHEBI:25623
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/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
InChIKey CTQNGGLPUBDAKN-UHFFFAOYSA-N
SMILES Cc1ccccc1C
ChEBI Ontology
Outgoing o-xylene (CHEBI:28063) is a xylene (CHEBI:27338)
Incoming 3,4-xylenol (CHEBI:39839) has parent hydride o-xylene (CHEBI:28063)
IUPAC Name
1,2-xylene
Synonyms Sources
1,2-dimethylbenzene NIST Chemistry WebBook
1,2-Dimethylbenzol ChEBI
2-xylene ChemIDplus
3,4-xylene NIST Chemistry WebBook
o-Dimethylbenzene KEGG COMPOUND
o-Methyltoluene KEGG COMPOUND
o-Xylene KEGG COMPOUND
o-Xylol ChemIDplus
ORTHO-XYLENE PDBeChem
Database Links Databases
c0248 UM-BBD
C07212 KEGG COMPOUND
CPD-1421 MetaCyc
DB03029 DrugBank
HMDB0059851 HMDB
O-Xylene Wikipedia
OXE PDBeChem
View more database links
Registry Numbers Types Sources
1815558 Beilstein Registry Number Beilstein
1815558 Reaxys Registry Number Reaxys
67796 Gmelin Registry Number Gmelin
95-47-6 CAS Registry Number NIST Chemistry WebBook
95-47-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22960059 PubMed citation Europe PMC
24246944 PubMed citation Europe PMC
Last Modified
23 October 2015