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

Isoamyl salicylate

Chemical identification
Pubchem identifier	6874
CAS identifier	87-20-7
DSSTOX identifier	DTXSID9041655
IUPAC name	Isoamyl salicylate
SMILES	CC(C)CCOC(=O)C1=CC=CC=C1O
InChI	InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3
InChIKey	PMGCQNGBLMMXEW-UHFFFAOYSA-N
Synonyms	3-Methylbutyl o-hydroxybenzoate; Isoamyl salicylate; Isopentyl o-hydroxybenzoate; 3-Methylbutyl salicylate; 3-Methylbutyl 2-hydroxybenzoate; Benzoic acid, 2-hydroxy-, 3-methylbutyl ester; Isoamyl o-hydroxybenzoate; Isopentyl-2-hydroxyphenyl methanoate; 2-Hydroxybenzoic acid, 3-methylbutyl ester; Isoamylester kyseliny salicylove; Isopentyl salicylate; Salicylic acid, isopentyl ester

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

Odor profile
Odor classes	Aromatic, Citrus, Dairy, Edible oil, Fermented, Floral, Herbs, Mineral, Peppers, Seed spices, Sweet spices, Tropical, Vegetable
Reference	[1]

Presence in Children's products
Broad category	Skin care
Subcategory	Bath And Lotion

Chemical classification based on ClassyFire
Chemical kingdom	Organic compounds
Chemical super-class	Benzenoids
Chemical class	Benzene and substituted derivatives
Chemical subclass	Benzoic acids and derivatives

Synthetic product source
Product source	Fragrance, Preservative, Cosmetics
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.