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CHEBI:231516 - 2,4-dimethylbenzyl alcohol

ChEBI IDCHEBI:231516
ChEBI Name2,4-dimethylbenzyl alcohol
Stars
DefinitionA methylbenzyl alcohol that is benzyl alcohol substituted by methyl groups at positions 2 and 4.
Last Modified3 June 2024
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC9H12O
Net Charge0
Average Mass136.194
Monoisotopic Mass136.08882
SMILESCc1ccc(CO)c(C)c1
InChIInChI=1S/C9H12O/c1-7-3-4-9(6-10)8(2)5-7/h3-5,10H,6H2,1-2H3
InChIKeyQUIMJTKRVOBTQN-UHFFFAOYSA-N
Roles Classification
Biological Roles:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
ChEBI Ontology
Outgoing Relation(s)
2,4-dimethylbenzyl alcohol (CHEBI:231516) has role rat metabolite (CHEBI:86264)
2,4-dimethylbenzyl alcohol (CHEBI:231516) has role xenobiotic metabolite (CHEBI:76206)
2,4-dimethylbenzyl alcohol (CHEBI:231516) is a aromatic primary alcohol (CHEBI:33857)
2,4-dimethylbenzyl alcohol (CHEBI:231516) is a methylbenzyl alcohol (CHEBI:25281)
IUPAC Name 
(2,4-dimethylphenyl)methanol
Synonyms  Source
2,4-dimethylbenzenemethanolChEBI
1-(hydroxymethyl)-2,4-dimethylbenzeneChEBI
UniProt Name  Source
2,4-dimethylbenzyl alcoholUniProt
Registry NumbersSources
Reaxys:1859679Reaxys
CAS:16308-92-2NIST Chemistry WebBook
Citations