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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:27417 -
p
-xylene
Main
ChEBI Ontology
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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
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Formula
C8H10
Net Charge
0
Average Mass
106.16500
Monoisotopic Mass
106.07825
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
)
2,5-xylenol (
CHEBI:191381
)
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
Manual Xrefs
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
Types
Sources
23316419
PubMed citation
Europe PMC
24028095
PubMed citation
Europe PMC
Last Modified
06 May 2022