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

3-Methylisoquinoline

Chemical identification
Pubchem identifier	14306
CAS identifier	1125-80-0
DSSTOX identifier	DTXSID2075180
IUPAC name	3-Methylisoquinoline
SMILES	CC1=CC2=CC=CC=C2C=N1
InChI	InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H,1H3
InChIKey	FVVXWRGARUACNW-UHFFFAOYSA-N
Synonyms	Isoquinoline, 3-methyl-; 3-Methylisoquinoline

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

Odor profile
Odor classes	Animal, Aromatic, Berry, Citrus, Dairy, Edible oil, Fermented, Floral, Fruity, Grain, Herbs, Maillard, Mineral, Pome, Stone spices, Sweet spices, Vegetable
Reference	[1]

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

Chemical classification based on ClassyFire
Chemical kingdom	Organic compounds
Chemical super-class	Organoheterocyclic compounds
Chemical class	Isoquinolines and derivatives
Chemical subclass	Not available

Synthetic product source
Product source	Diesel exhaust, Flavorant, Antimicrobial, Antioxidant, Fragrance, Heat stabilizer, Colorant, Flavoring agent
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.