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

beta-Ionone

Chemical identification
Pubchem identifier	638014
CAS identifier	14901-07-6
DSSTOX identifier	DTXSID9025451
IUPAC name	beta-Ionone
SMILES	CC1=C(C(CCC1)(C)C)C=CC(=O)C
InChI	InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
InChIKey	PSQYTAPXSHCGMF-BQYQJAHWSA-N
Synonyms	4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-; beta-Cyclocitrylideneacetone; 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one; beta-Ionone; 4-(2,6,6-Trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one

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

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

Presence in Children's products
Broad category	Skin care, Toys
Subcategory	Bath And Lotion, Miscellaneous Toys

Chemical classification based on ClassyFire
Chemical kingdom	Organic compounds
Chemical super-class	Lipids and lipid-like molecules
Chemical class	Prenol lipids
Chemical subclass	Sesquiterpenoids

Natural source for the chemical
Organism	Kingdom	Genus	Family
Boronia megastigma	Plantae	Boronia	Rutaceae
Tipuana tipu	Plantae	Tipuana	Fabaceae
Coffea arabica	Plantae	Coffea	Rubiaceae
Centaurea sessilis	Plantae	Centaurea	Asteraceae
Ferula elaeochytris	Plantae	Ferula	Apiaceae
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.