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

Columbianadin

Chemical identification
Pubchem identifier	6436246
CAS identifier	5058-13-9
IUPAC name	Columbianadin
SMILES	CC=C(C)C(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3
InChI	InChI=1S/C19H20O5/c1-5-11(2)18(21)24-19(3,4)15-10-13-14(22-15)8-6-12-7-9-16(20)23-17(12)13/h5-9,15H,10H2,1-4H3/b11-5-/t15-/m0/s1
InChIKey	JRIBPWOXWIRQOQ-GHAIFCDISA-N
Synonyms	2-Butenoic acid, 2-methyl-, 1-(8,9-dihydro-2-oxo-2H-furo(2,3-h)-1-benzopyran-8-yl)-1-methylethyl ester, (S-(Z))-; Columbiadin; Zosimin

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
Zosima orientalis	Plantae	Zosima	Apiaceae
Pinus sylvestris	Plantae	Pinus	Pinaceae
Angelica sinensis	Plantae	Angelica	Apiaceae
Peucedanum grande	Plantae	Peucedanum	Apiaceae
Reference	[1], [2], [3]

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.