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

alpha-Ionone

Chemical identification
Pubchem identifier	5282108
CAS identifier	127-41-3
DSSTOX identifier	DTXSID0035160
IUPAC name	alpha-Ionone
SMILES	CC1=CCCC(C1C=CC(=O)C)(C)C
InChI	InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+
InChIKey	UZFLPKAIBPNNCA-BQYQJAHWSA-N
Synonyms	Cyclocitrylideneacetone, alpha-; alpha-Ionone; (+-)-trans-alpha-Ionone; (E)-(1)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one; 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-; Ionone, alpha-; 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one; (E)-alpha-Ionone; 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-

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

Odor profile
Odor classes	Aromatic, Edible oil, Floral, Herbs, Seed spices, Vegetable
Reference	[1]

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

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
Citrus reticulata	Plantae	Citrus	Rutaceae
Acacia farnesiana	Plantae	Acacia	Fabaceae
Crateva nurvala	Plantae	Crateva	Capparaceae
Viola odorata L.	Plantae	Viola L.	Violaceae
Inula racemosa	Plantae	Inula	Asteraceae
Lawsonia inermis	Plantae	Lawsonia	Lythraceae
Azadirachta indica	Plantae	Azadirachta	Meliaceae
Carica papaya	Plantae	Carica	Caricaceae
Reference	[1], [2], [3], [4], [5]

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.