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

Methoxsalen

Chemical identification
Pubchem identifier	4114
CAS identifier	298-81-7
DSSTOX identifier	DTXSID8020830
IUPAC name	Methoxsalen
SMILES	COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
InChI	InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
InChIKey	QXKHYNVANLEOEG-UHFFFAOYSA-N
Synonyms	8-Methoxypsoralen;Meladoxen;5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, delta-lactone

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

Odor profile
Odor classes	Odorless
Reference	[1]

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
Angelica archangelica	Plantae	Angelica	Apiaceae
Ammi majus	Plantae	Ammi	Apiaceae
Angelica gigas	Plantae	Angelica	Apiaceae
Citrus trifoliata	Plantae	Citrus	Rutaceae
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.