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

2-Methylbutanoic acid

Chemical identification
Pubchem identifier	8314
CAS identifier	116-53-0
DSSTOX identifier	DTXSID5021621
IUPAC name	2-Methylbutanoic acid
SMILES	CCC(C)C(=O)O
InChI	InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKey	WLAMNBDJUVNPJU-UHFFFAOYSA-N
Synonyms	DL-2-Methylbutyric acid; Ethylmethylacetic acid; 2-Methybutyric acid; 2-Methylbutyric acid; Butanoic acid, 2-methyl-; Valeric acid, active; Butyric acid, 2-methyl- (6CI,8CI); alpha-Methylbutyric acid; (1)-2-Methylbutyric acid; 2-Methylbutyric acid (trual); 2-Methylbutanoic acid; 2-Methylbutanoic acid (dl); Butyric acid, 2-methyl-; Methylethylacetic acid; Active valeric acid

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

Odor profile
Odor classes	Animal, Dairy, 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
Lithospermum erythrorhizon	Plantae	Lithospermum	Boraginaceae
Litsea cubeba	Plantae	Litsea	Lauraceae
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.