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

Octanal

Chemical identification
Pubchem identifier	454
CAS identifier	124-13-0
DSSTOX identifier	DTXSID3021643
IUPAC name	Octanal
SMILES	CCCCCCCC=O
InChI	InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
InChIKey	NUJGJRNETVAIRJ-UHFFFAOYSA-N
Synonyms	n-Caprylaldehyde; n-Octal; Antifoam-LF; Octaldehyde; n-Octyl aldehyde; 1-Octal; Aldehyde C-8; Octal, tech.; Octyl aldehydes; Caprylic aldehyde; n-Octaldehyde; Octyl aldehyde; C-8 aldehyde; Octanoic aldehyde; Caprylaldehyde; Octaldehyde; n-Octylal; Octal; Octylaldehyde

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

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

Presence in Children's products
Broad category	Diet and Feeding, Clothing and Accessories
Subcategory	Infant Milk Formula, Child Costumes

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
Penicillium expansum	Fungi	Penicillium	Trichocomaceae
Panax ginseng	Plantae	Panax	Araliaceae
Anacardium occidentale	Plantae	Anacardium	Anacardiaceae
Saposhnikovia divaricata Schischkin	Plantae	Saposhnikovia	Apiaceae
Notopterygium forbesii DE BOISS	Plantae	Notopterygium	Apiaceae
Citrus reticulata	Plantae	Citrus	Rutaceae
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.