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

Acetophenone

Chemical identification
Pubchem identifier	7410
CAS identifier	98-86-2
DSSTOX identifier	DTXSID6021828
IUPAC name	Acetophenone
SMILES	CC(=O)C1=CC=CC=C1
InChI	InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey	KWOLFJPFCHCOCG-UHFFFAOYSA-N
Synonyms	Acetophenon; Methyl phenyl ketone; Benzene, acetyl-; Acetophenone; Acetylbenzene; Phenyl methyl ketone; Hypnone; Benzoyl methide; Acetylbenzol; 1-Phenyl-1-ethanone; Ethanone, 1-phenyl-; Ketone, methyl phenyl; 1-Phenylethanone; Acetofenon; Benzoylmethide

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

Odor profile
Odor classes	Aromatic, Citrus, Edible oil, Fermented, Floral, Grain, Herbs, Maillard, Mineral, Sweet spices, Tropical, Vegetable
Reference	[1]

Presence in Children's products
Broad category	Clothing and Accessories, Toys
Subcategory	Child Costumes, Toy Swords

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
Cistus ladaniferus	Plantae	Cistus	Cistaceae
Cistus creticus	Plantae	Cistus	Cistaceae
Dittrichia graveolens	Plantae	Dittrichia	Asteraceae
Trifolium pratense	Plantae	Trifolium	Fabaceae
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.