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

Xanthotoxol

Chemical identification
Pubchem identifier	65090
CAS identifier	2009-24-7
DSSTOX identifier	DTXSID50173910
IUPAC name	Xanthotoxol
SMILES	C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O
InChI	InChI=1S/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H
InChIKey	JWVYQQGERKEAHW-UHFFFAOYSA-N
Synonyms	5-Benzofuracrylic acid, 6,7-dihydroxy-, gamma-lactone (7CI); 8-Hydroxypsoralene; 8-Hydroxypsoralen; Xanthotoxol; 9-Hydroxy-7H-furo(3,2-g)(1)benzopyran-7-one; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-hydroxy-; Xanthotoxol (6CI); 6,7-Dihydroxy-5-benzofuracrylic acid gamma-lactone; Psoralen, 8-hydroxy-

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	Furanocoumarins

Natural source for the chemical
Organism	Kingdom	Genus	Family
Aspergillus flavus	Fungi	Aspergillus	Trichocomaceae
Angelica furcijuga	Plantae	Angelica	Apiaceae
Taxus chinensis	Plantae	Taxus	Taxaceae
Limonia acidissima	Plantae	Limonia	Rutaceae
Aegle marmelos	Plantae	Aegle	Rutaceae
Cnidium monnieri	Plantae	Cnidium	Apiaceae
Angelica archangelica	Plantae	Angelica	Apiaceae
Reference	[1], [2], [3], [4], [5]

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.