Scoparone

Scoparone




Chemical identification
Pubchem identifier8417
CAS identifier120-08-1
DSSTOX identifierDTXSID10152640
IUPAC nameScoparone
SMILESCOC1=C(C=C2C(=C1)C=CC(=O)O2)OC
InChIInChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3
InChIKeyGUAFOGOEJLSQBT-UHFFFAOYSA-N
SynonymsBenzopyran-2-one, 6,7-dimethoxy- (9CI); 6,7-Dimethoxybenzopyran-2-one; 6,7-Dimethylesculetin; Scoparon; 6,7-Dimethoxy-2-benzopyrone; 6,7-Dimethoxy-2H-1-benzopyran-2-one; Coumarin, 6,7-dimethoxy-; Scoparone; Escoparone; 6,7-Dimethoxycoumarin; Esculetin dimethyl ether; Aesculetin dimethyl ether
Scoparone

Download structure:
2D:MOLMOL2SDF
3D:MOLMOL2SDFPDBPDBQT
Odor profile
Odor classesUnknown
Reference-
Presence in Children's products
Broad categoryToys
SubcategoryMiscellaneous Toys
Chemical classification based on ClassyFire
Chemical kingdomOrganic compounds
Chemical super-classPhenylpropanoids and polyketides
Chemical classCoumarins and derivatives
Chemical subclassNot available
Natural source for the chemical
OrganismKingdomGenusFamily
Aralia chinensisPlantaeAraliaAraliaceae
Bupleurum fruticescensPlantaeBupleurumApiaceae
Ferula oopodaPlantaeFerulaApiaceae
Reference[1], [2], [3], [4]
DISCLAIMER

FCCP is a repository of fragrance chemicals used in children’s products compiled and curated from published scientific literature. We are not responsible for any errors or omission of any chemicals or published scientific studies that reported fragrance chemicals used in children’s products. The users are advised to exercise their own judgement while using our resource. Importantly our goal is to build this resource on fragrance chemicals used in children’s products to enable future research towards better understanding of the hazardous potential of these chemicals and to frame better policy decisions. Hence, the views expressed in this work are solely based on our scientific understanding of the topic, and they do not necessarily reflect the views or policies of our employers or funders.