EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:231518 - 3,5-dimethylbenzyl alcohol

ChEBI IDCHEBI:231518
ChEBI Name3,5-dimethylbenzyl alcohol
Stars
DefinitionA methylbenzyl alcohol that is benzyl alcohol substituted by methyl groups at positions 3 and 5.
Last Modified3 June 2024
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC9H12O
Net Charge0
Average Mass136.194
Monoisotopic Mass136.08882
SMILESCc1cc(C)cc(CO)c1
InChIInChI=1S/C9H12O/c1-7-3-8(2)5-9(4-7)6-10/h3-5,10H,6H2,1-2H3
InChIKeyIQWWTJDRVBWBEL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ferula hermonis (ncbitaxon:662815) Root (BTO:0001188) PubMed (31380416)
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)
3,5-dimethylbenzyl alcohol (CHEBI:231518) has role plant metabolite (CHEBI:76924)
3,5-dimethylbenzyl alcohol (CHEBI:231518) is a aromatic primary alcohol (CHEBI:33857)
3,5-dimethylbenzyl alcohol (CHEBI:231518) is a methylbenzyl alcohol (CHEBI:25281)
IUPAC Name 
(3,5-dimethylphenyl)methanol
Synonyms  Source
3,5-dimethylbenzenemethanolChEBI
1-(hydroxymethyl)-3,5-dimethylbenzeneChEBI
UniProt Name  Source
3,5-dimethylbenzyl alcoholUniProt
Registry NumbersSources
CAS:27129-87-9NIST Chemistry WebBook
Citations