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Definition	A member of the class of toluenes that is toluene in which the hydrogens at positions 3 and 5 have been replaced by methoxy groups.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

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
5-methylresorcinol dimethyl ether	NIST Chemistry WebBook
DMT	NIST Chemistry WebBook
orcinol dimethyl ether	NIST Chemistry WebBook

Last Modified

10 July 2018