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

Ethyl butyrate

Chemical identification
Pubchem identifier	7762
CAS identifier	105-54-4
DSSTOX identifier	DTXSID6040111
IUPAC name	Ethyl butyrate
SMILES	CCCC(=O)OCC
InChI	InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
InChIKey	OBNCKNCVKJNDBV-UHFFFAOYSA-N
Synonyms	Butanoic acid, ethyl ester; Ethyl butanoate; Butanoic acid ethyl ester; Butyric ester; Ethyl butyrate; Butyric acid, ethyl ester; Ethyl n-butyrate; Butyric ether

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

Odor profile
Odor classes	Floral, Pome
Reference	[1]

Presence in Children's products
Broad category	Miscellaneous
Subcategory	General Baby products

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

Natural source for the chemical
Organism	Kingdom	Genus	Family
Mandragora autumnalis	Plantae	Mandragora	Solanaceae
Durio zibethinus	Plantae	Durio	Malvaceae
Coffea arabica	Plantae	Coffea	Rubiaceae
Psidium guajava	Plantae	Psidium	Myrtaceae
Mangifera indica	Plantae	Mangifera	Anacardiaceae
Reference	[1], [2], [3], [4], [5]

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.