6-methylcoumarin (CHEBI:563586)

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ChEBI Name	6-methylcoumarin

ChEBI ID	CHEBI:563586

Definition	A member of the class of coumarins that is coumarin in which the hydrogen at position 6 is replaced by a methyl group.

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

Supplier Information

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Formula

C10H8O2

Net Charge

Average Mass

160.170

Monoisotopic Mass

160.05243

InChI

InChI=1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3

InChIKey

FXFYOPQLGGEACP-UHFFFAOYSA-N

SMILES

C1=C(C=C2C=CC(OC2=C1)=O)C

Roles Classification
Biological Role(s):	allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.

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

ChEBI Ontology
Outgoing	6-methylcoumarin (CHEBI:563586) has role allergen (CHEBI:50904) 6-methylcoumarin (CHEBI:563586) has role fragrance (CHEBI:48318) 6-methylcoumarin (CHEBI:563586) is a coumarins (CHEBI:23403)

IUPAC Name

6-methyl-2H-chromen-2-one

Synonyms	Sources
5-Methyl-2-hydroxyphenylpropenoic acid lactone	ChemIDplus
6-Methyl-1,2-benzopyrone	ChemIDplus
6-methyl-2H-1-benzopyran-2-one	ChEBI
6-Methyl-cis-O-coumarinic lactone	ChemIDplus
6-Methylbenzopyrone	ChemIDplus
6-Methylcoumarinic anhydride	ChemIDplus
Methyl coumarin	ChemIDplus

Last Modified

17 February 2017