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

3-Octen-2-one

Chemical identification
Pubchem identifier	5363229
CAS identifier	1669-44-9
DSSTOX identifier	DTXSID1061867
IUPAC name	3-Octen-2-one
SMILES	CCCCC=CC(=O)C
InChI	InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+
InChIKey	ZCFOBLITZWHNNC-VOTSOKGWSA-N
Synonyms	3-Octen-2-one

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

Odor profile
Odor classes	Aromatic, Edible oil, Grain, Herbs, Maillard, Vegetable
Reference	[1]

Presence in Children's products
Broad category	Diet and Feeding
Subcategory	Infant Milk Formula

Chemical classification based on ClassyFire
Chemical kingdom	Organic compounds
Chemical super-class	Organic oxygen compounds
Chemical class	Organooxygen compounds
Chemical subclass	Carbonyl compounds

Natural source for the chemical
Organism	Kingdom	Genus	Family
Boletus edulis	Fungi	Boletus	Boletaceae
Mandragora autumnalis	Plantae	Mandragora	Solanaceae
Catharanthus roseus	Plantae	Catharanthus	Apocynaceae
Chrysanthemum indicum	Plantae	Chrysanthemum	Compositae
Borago officinalis	Plantae	Borago	Boraginaceae
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.