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

1-Octen-3-one

Chemical identification
Pubchem identifier	61346
CAS identifier	4312-99-6
DSSTOX identifier	DTXSID5047162
IUPAC name	1-Octen-3-one
SMILES	CCCCCC(=O)C=C
InChI	InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3
InChIKey	KLTVSWGXIAYTHO-UHFFFAOYSA-N
Synonyms	Vinyl amyl ketone; Amyl vinyl ketone; 1-Octen-3-one

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

Odor profile
Odor classes	Aromatic, Citrus, Fermented, Herbs, Mineral, Peppers, Vegetable
Reference	[1]

Presence in Children's products
Broad category	Diet and Feeding, Clothing and Accessories, Toys
Subcategory	Infant Milk Formula, Child Costumes, Aquatic Toys

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
Cynara scolymus	Plantae	Cynara	Asteraceae
Rosmarinus officinalis	Plantae	Rosmarinus	Labiatae
Acca sellowiana	Plantae	Acca	Myrtaceae
Laminaria japonica	Protista	Laminaria	Laminariaceae
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.