EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:27417 - p-xylene

Default Structure
ChEBI IDCHEBI:27417
ChEBI Namep-xylene
Stars
ASCII Namep-xylene
DefinitionA xylene with methyl groups at positions 1 and 4.
Secondary ChEBI IDsCHEBI:10633, CHEBI:25832, CHEBI:45248
Last Modified6 May 2022
DownloadsMolfile
FormulaC8H10
Net Charge0
Average Mass106.168
Monoisotopic Mass106.07825
SMILESCc1ccc(C)cc1
InChIInChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
InChIKeyURLKBWYHVLBVBO-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
p-xylene (CHEBI:27417) is a xylene (CHEBI:27338)
Incoming Relation(s)
2,5-dimethyl-p-phenylenediamine (CHEBI:53613) has parent hydride p-xylene (CHEBI:27417)
2,5-xylenol (CHEBI:191381) has parent hydride p-xylene (CHEBI:27417)
IUPAC Name 
1,4-xylene
Synonyms  Source
1,4-DimethylbenzeneKEGG COMPOUND
1,4-DimethylbenzolChEBI
4-methyltolueneNIST Chemistry WebBook
4-xyleneChemIDplus
para-xyleneNIST Chemistry WebBook
p-dimethylbenzeneNIST Chemistry WebBook
UniProt Name  Source
p-xyleneUniProt
Manual XrefsDatabases
c0083UM-BBD
C06756KEGG COMPOUND
CPD-1422MetaCyc
DB03463DrugBank
HMDB0059924HMDB
PXYPDBeChem
P-XyleneWikipedia
Registry NumbersSources
Reaxys:1901563Reaxys
Gmelin:2697Gmelin
CAS:106-42-3ChemIDplus
CAS:106-42-3KEGG COMPOUND
CAS:106-42-3NIST Chemistry WebBook
Citations