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

Benzylideneacetone

Chemical identification
Pubchem identifier	637759
CAS identifier	122-57-6
DSSTOX identifier	DTXSID4025662
IUPAC name	Benzylideneacetone
SMILES	CC(=O)C=CC1=CC=CC=C1
InChI	InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
InChIKey	BWHOZHOGCMHOBV-BQYQJAHWSA-N
Synonyms	Benzylideneacetone; Benzilideneacetone; 4-Phenyl-3-buten-2-one; Benzalacetone; Styryl methyl ketone; 3-Buten-2-one, 4-phenyl-; Methyl styryl ketone; 4-Phenyl-3-butene-2-one; 2-Phenylvinyl methyl ketone; Benzalaceton; Acetocinmone; Benzilidene acetone; Methyl 2-phenylvinyl ketone; Methyl beta-styryl ketone; 4-Phenylbutenone; Ketone, methyl styryl; Benzylidene acetone

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

Odor profile
Odor classes	Aromatic, Berry, Citrus, Dairy, Edible oil, Fermented, Floral, Fruity, Grain, Herbs, Maillard, Mineral, Pome, Seed spices, Stone spices, Sweet spices, Tropical, Vegetable
Reference	[1]

Presence in Children's products
Broad category	Toys
Subcategory	Paper Toys, Plastic Toys

Chemical classification based on ClassyFire
Chemical kingdom	Organic compounds
Chemical super-class	Benzenoids
Chemical class	Benzene and substituted derivatives
Chemical subclass	Styrenes

Natural source for the chemical
Organism	Kingdom	Genus	Family
Xenorhabdus nematophila	Bacteria	Xenorhabdus	Morganellaceae
Reference	[1]

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.