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CHEBI:141217 - 3,5-dimethoxytoluene

ChEBI IDCHEBI:141217
ChEBI Name3,5-dimethoxytoluene
Stars
DefinitionA member of the class of toluenes that is toluene in which the hydrogens at positions 3 and 5 have been replaced by methoxy groups. It is the major scent compound of many rose varieties.
Last Modified7 June 2024
SubmitterGareth Owen
DownloadsMolfile
FormulaC9H12O2
Net Charge0
Average Mass152.193
Monoisotopic Mass152.08373
SMILESCOc1cc(C)cc(OC)c1
InChIInChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3
InChIKeyRIZBLVRXRWHLFA-UHFFFAOYSA-N
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.
Application:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
ChEBI Ontology
Outgoing Relation(s)
3,5-dimethoxytoluene (CHEBI:141217) has role fragrance (CHEBI:48318)
3,5-dimethoxytoluene (CHEBI:141217) has role plant metabolite (CHEBI:76924)
3,5-dimethoxytoluene (CHEBI:141217) is a methoxybenzenes (CHEBI:51683)
3,5-dimethoxytoluene (CHEBI:141217) is a toluenes (CHEBI:27024)
IUPAC Name 
1,3-dimethoxy-5-methylbenzene
Synonyms  Source
orcinol dimethyl etherNIST Chemistry WebBook
5-methylresorcinol dimethyl etherNIST Chemistry WebBook
1,5-dimethoxy-3-methylbenzeneNIST Chemistry WebBook
DMTNIST Chemistry WebBook
UniProt Name  Source
3,5-dimethoxytolueneUniProt
Manual XrefsDatabases
HMDB0059853HMDB
CPD-9502MetaCyc
Registry NumbersSources
Reaxys:2043558Reaxys
CAS:4179-19-5ChemIDplus
CAS:4179-19-5NIST Chemistry WebBook
Citations