CHEBI:27417 - p-xylene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name p-xylene
ChEBI ID CHEBI:27417
ChEBI ASCII Name p-xylene
Definition A xylene with methyl groups at positions 1 and 4.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:25832, CHEBI:45248, CHEBI:10633
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/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
InChIKey URLKBWYHVLBVBO-UHFFFAOYSA-N
SMILES Cc1ccc(C)cc1
ChEBI Ontology
Outgoing p-xylene (CHEBI:27417) is a xylene (CHEBI:27338)
Incoming 2,5-dimethyl-p-phenylenediamine (CHEBI:53613) has parent hydride p-xylene (CHEBI:27417)
IUPAC Name
1,4-xylene
Synonyms Sources
1,4-Dimethylbenzene KEGG COMPOUND
1,4-Dimethylbenzol ChEBI
4-methyltoluene NIST Chemistry WebBook
4-xylene ChemIDplus
p-dimethylbenzene NIST Chemistry WebBook
p-Methyltoluene KEGG COMPOUND
p-Xylene KEGG COMPOUND
p-xylene UniProt
p-Xylol NIST Chemistry WebBook
PARA-XYLENE PDBeChem
para-xylene NIST Chemistry WebBook
Database Links Databases
c0083 UM-BBD
C06756 KEGG COMPOUND
CPD-1422 MetaCyc
DB03463 DrugBank
HMDB0059924 HMDB
P-Xylene Wikipedia
PXY PDBeChem
View more database links
Registry Numbers Types Sources
106-42-3 CAS Registry Number KEGG COMPOUND
106-42-3 CAS Registry Number NIST Chemistry WebBook
106-42-3 CAS Registry Number ChemIDplus
1901563 Beilstein Registry Number Beilstein
1901563 Reaxys Registry Number Reaxys
2697 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
23316419 PubMed citation Europe PMC
24028095 PubMed citation Europe PMC
Last Modified
10 January 2017