3,5-dimethoxytoluene (CHEBI:141217)

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ChEBI Name	3,5-dimethoxytoluene

ChEBI ID	CHEBI:141217

Definition	A member of the class of toluenes that is toluene in which the hydrogens at positions 3 and 5 have been replaced by methoxy groups.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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ChemicalBook:CB0230254, eMolecules:506929, ZINC000012341538

Download	Molfile XML SDF

Formula

C9H12O2

Net Charge

Average Mass

152.191

Monoisotopic Mass

152.08373

InChI

InChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3

InChIKey

RIZBLVRXRWHLFA-UHFFFAOYSA-N

SMILES

C1(=CC(=CC(=C1)OC)C)OC

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.

ChEBI Ontology
Outgoing	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	Sources
1,5-dimethoxy-3-methylbenzene	NIST Chemistry WebBook
3,5-dimethoxytoluene	UniProt
5-methylresorcinol dimethyl ether	NIST Chemistry WebBook
DMT	NIST Chemistry WebBook
orcinol dimethyl ether	NIST Chemistry WebBook

Last Modified

07 June 2024