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

Lilial

Chemical identification
Pubchem identifier	228987
CAS identifier	80-54-6
DSSTOX identifier	DTXSID9026500
IUPAC name	Lilial
SMILES	CC(CC1=CC=C(C=C1)C(C)(C)C)C=O
InChI	InChI=1S/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3
InChIKey	SDQFDHOLCGWZPU-UHFFFAOYSA-N
Synonyms	Lilial; alpha-Methyl, beta-(p-tert-butylphenyl)propioldehyde; alpha-Methyl-p-(tert-butyl)hydrocinmaldehyde; Benzenepropal, 4-(1,1-dimethylethyl)-alpha-methyl-; Lilyal; p-tert-Butyl-alpha-methyldihydrocinmic aldehyde; p-tert-Butyl-alpha-methylhydrocinmaldehyde; p-tert-Butyl-alpha-methylhydrocinmic aldehyde; Propioldehyde, beta-(4-tert-butylphenyl)-alpha-methyl-; 2-(4-tert-Butylbenzyl)propioldehyde; Hydrocinmaldehyde, p-tert-butyl-alpha-methyl-

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

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

Presence in Children's products
Broad category	Diapering, Hair care, Miscellaneous, Skin care
Subcategory	Baby Wipes, Baby Shampoo And Shower Gel, General Baby products, Baby Gel, Baby Moisturizing Cream and Lotion

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

Synthetic product source
Product source	Fragrance
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.