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CHEBI:1895 - 4-methylbenzyl alcohol

ChEBI IDCHEBI:1895
ChEBI Name4-methylbenzyl alcohol
Stars
DefinitionA methylbenzyl alcohol in which the methyl substituent is para to the hydroxymethyl group.
Secondary ChEBI IDCHEBI:25828
Last Modified3 June 2024
DownloadsMolfile
FormulaC8H10O
Net Charge0
Average Mass122.167
Monoisotopic Mass122.07316
SMILESCc1ccc(CO)cc1
InChIInChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
InChIKeyKMTDMTZBNYGUNX-UHFFFAOYSA-N
Roles Classification
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
Application:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
ChEBI Ontology
Outgoing Relation(s)
4-methylbenzyl alcohol (CHEBI:1895) has role fragrance (CHEBI:48318)
4-methylbenzyl alcohol (CHEBI:1895) has role xenobiotic metabolite (CHEBI:76206)
4-methylbenzyl alcohol (CHEBI:1895) is a methylbenzyl alcohol (CHEBI:25281)
4-methylbenzyl alcohol (CHEBI:1895) is a toluenes (CHEBI:27024)
IUPAC Name 
(4-methylphenyl)methanol
Synonyms  Source
4-methylbenzyl alcoholKEGG COMPOUND
alpha-Hydroxy-p-xyleneKEGG COMPOUND
4-tolylcarbinolKEGG COMPOUND
4-(hydroxymethyl)tolueneChemIDplus
p-methylbenzyl alcoholChemIDplus
p-tolyl alcoholChemIDplus
UniProt Name  Source
4-methylbenzyl alcoholUniProt
Manual XrefsDatabases
C06757KEGG COMPOUND
c0200UM-BBD
4-METHYLBENZYL-ALCOHOLMetaCyc
HMDB0041609HMDB
FDB021764FooDB
Registry NumbersSources
Reaxys:1856550Reaxys
CAS:589-18-4KEGG COMPOUND
CAS:589-18-4ChemIDplus
Citations