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CHEBI:39839 - 3,4-xylenol

ChEBI IDCHEBI:39839
ChEBI Name3,4-xylenol
Stars
DefinitionA member of the class of phenols that is phenol substituted by methyl groups at positions 3 and 4.
Secondary ChEBI IDsCHEBI:38575, CHEBI:39833
Last Modified17 April 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H10O
Net Charge0
Average Mass122.167
Monoisotopic Mass122.07316
SMILESCc1ccc(O)cc1C
InChIInChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
InChIKeyYCOXTKKNXUZSKD-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
3,4-xylenol (CHEBI:39839) has parent hydride o-xylene (CHEBI:28063)
3,4-xylenol (CHEBI:39839) is a phenols (CHEBI:33853)
Incoming Relation(s)
xylylcarb (CHEBI:35048) has functional parent 3,4-xylenol (CHEBI:39839)
IUPAC Name 
3,4-dimethylphenol
Synonyms  Source
1,2-Dimethyl-4-hydroxybenzeneNIST Chemistry WebBook
1,3,4-XylenolChemIDplus
3,4-DMPChemIDplus
4,5-DimethylphenolChemIDplus
4-Hydroxy-1,2-dimethylbenzeneChemIDplus
Manual XrefsDatabases
2MPPDBeChem
3,4-XylenolWikipedia
DB04052DrugBank
HMDB0032151HMDB
Registry NumbersSources
Beilstein:1099267Beilstein
Reaxys:1099267Reaxys
CAS:95-65-8ChemIDplus
CAS:95-65-8NIST Chemistry WebBook
Citations