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

Isovaleric acid

Chemical identification
Pubchem identifier	10430
CAS identifier	503-74-2
DSSTOX identifier	DTXSID5029182
IUPAC name	Isovaleric acid
SMILES	CC(C)CC(=O)O
InChI	InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKey	GWYFCOCPABKNJV-UHFFFAOYSA-N
Synonyms	Isovalerianic; Isopentanoic acid; Delphinic acid; Kyseli isovalerova; 3-Methylbutyrate; Isovalerianic acid; Acetic acid, isopropyl-; Isopropylacetic acid; beta-Methylbutyric acid; Butanoic acid, 3-methyl-; Isobutyl formic acid; Isovaleric acid; Butyric acid, 3-methyl-; 3-Methylbutyric acid; Isobutylformic acid; 3-Methylbutanoic acid

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

Odor profile
Odor classes	Animal, Aromatic, Dairy, Edible oil, Fermented, Mineral, Processed meat
Reference	[1]

Presence in Children's products
Broad category	Clothing and Accessories
Subcategory	Child Costumes

Chemical classification based on ClassyFire
Chemical kingdom	Organic compounds
Chemical super-class	Lipids and lipid-like molecules
Chemical class	Fatty Acyls
Chemical subclass	Fatty acids and conjugates

Natural source for the chemical
Organism	Kingdom	Genus	Family
Arctium lappa	Plantae	Arctium	Asteraceae
Achillea millefolium	Plantae	Achillea	Asteraceae
Staphylococcus aureus	Bacteria	Staphylococcus	Staphylococcaceae
Valeriana officinalis	Plantae	Valeriana	Valerianaceae
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.