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

Trioxsalen

Chemical identification
Pubchem identifier	5585
CAS identifier	3902-71-4
DSSTOX identifier	DTXSID3023716
IUPAC name	Trioxsalen
SMILES	CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)C
InChI	InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3
InChIKey	FMHHVULEAZTJMA-UHFFFAOYSA-N
Synonyms	Trioxysalenum;Trimethylpsoralen;2',4,8-Trimethylpsoralen

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

Synthetic product source
Product source	Medicine
Reference	[1], [2]

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.