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CHEBI:231517 - 3,4-dimethylbenzyl alcohol

ChEBI IDCHEBI:231517
ChEBI Name3,4-dimethylbenzyl alcohol
Stars
DefinitionA methylbenzyl alcohol that is benzyl alcohol substituted by methyl groups at positions 3 and 4.
Last Modified3 June 2024
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC9H12O
Net Charge0
Average Mass136.194
Monoisotopic Mass136.08882
SMILESCc1ccc(CO)cc1C
InChIInChI=1S/C9H12O/c1-7-3-4-9(6-10)5-8(7)2/h3-5,10H,6H2,1-2H3
InChIKeyOKGZCXPDJKKZAP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Prunus avium (ncbitaxon:42229) - PubMed (24444903)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
3,4-dimethylbenzyl alcohol (CHEBI:231517) has role plant metabolite (CHEBI:76924)
3,4-dimethylbenzyl alcohol (CHEBI:231517) is a aromatic primary alcohol (CHEBI:33857)
3,4-dimethylbenzyl alcohol (CHEBI:231517) is a methylbenzyl alcohol (CHEBI:25281)
IUPAC Name 
(3,4-dimethylphenyl)methanol
Synonyms  Source
1-(hydroxymethyl)-3,4-dimethylbenzeneChEBI
3,4-dimethylbenzenemethanolChEBI
UniProt Name  Source
3,4-dimethylbenzyl alcoholUniProt
Manual XrefsDatabases
34-DIMETHYLBENZYL-ALCOHOLMetaCyc
C00058873KNApSAcK
Registry NumbersSources
CAS:6966-10-5NIST Chemistry WebBook
Citations