FCCP | A repository of Fragrance Chemicals in Children’s Products

Scopoletin

Chemical identification
Pubchem identifier	5280460
CAS identifier	92-61-5
DSSTOX identifier	DTXSID0075368
IUPAC name	Scopoletin
SMILES	COC1=C(C=C2C(=C1)C=CC(=O)O2)O
InChI	InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
InChIKey	RODXRVNMMDRFIK-UHFFFAOYSA-N
Synonyms	Chrysatropic acid; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; 7-Hydroxy-6-methoxycoumarin; 6-Methylesculetin; 6-Methoxy-7-hydroxycoumarin; Gelseminic acid; 6-O-Methylesculetin; Scopoletin; Escopoletin; Scopoletine; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; Esculetin 6-methyl ether; Murrayetin; beta-Methylesculetin; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); Scopoletol; Coumarin, 7-hydroxy-6-methoxy-

Download structure:
2D:MOL MOL2 SDF
3D:MOL MOL2 SDF PDB PDBQT

Odor profile
Odor classes	Unknown
Reference	-

Presence in Children's products
Broad category	Toys
Subcategory	Miscellaneous Toys

Chemical classification based on ClassyFire
Chemical kingdom	Organic compounds
Chemical super-class	Phenylpropanoids and polyketides
Chemical class	Coumarins and derivatives
Chemical subclass	Hydroxycoumarins

Natural source for the chemical
Organism	Kingdom	Genus	Family
Atropa belladonna	Plantae	Atropa	Solanaceae
Artemisia abrotanum	Plantae	Artemisia	Asteraceae
Anethum sowa	Plantae	Anethum	Apiaceae
Citrus limetta	Plantae	Citrus	Rutaceae
Melia azedarach	Plantae	Melia	Meliaceae
Sinomenium acutum	Plantae	Sinomenium	Menispermaceae
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.