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

Vanillin

Chemical identification
Pubchem identifier	1183
CAS identifier	121-33-5
DSSTOX identifier	DTXSID0021969
IUPAC name	Vanillin
SMILES	COC1=C(C=CC(=C1)C=O)O
InChI	InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChIKey	MWOOGOJBHIARFG-UHFFFAOYSA-N
Synonyms	4-Hydroxy-3-methoxybenzaldehyde;2-Methoxy-4-formylphenol;p-Hydroxy-m-methoxybenzaldehyde

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

Odor profile
Odor classes	Aromatic, Floral, Maillard, Sweet spices
Reference	[1]

Presence in Children's products
Broad category	Clothing and Accessories, Toys
Subcategory	Child Costumes, Aquatic Toys, Toy Swords

Chemical classification based on ClassyFire
Chemical kingdom	Organic compounds
Chemical super-class	Benzenoids
Chemical class	Phenols
Chemical subclass	Methoxyphenols

Natural source for the chemical
Organism	Kingdom	Genus	Family
Angelica sinensis	Plantae	Angelica	Apiaceae
Annona purpurea	Plantae	Annona	Annonaceae
Chaerophyllum hirsutum	Plantae	Chaerophyllum	Apiaceae
Rhus semialata	Plantae	Rhus	Anacardiaceae
Vanilla planifolia	Plantae	Vanilla	Orchidaceae
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.