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

Heptanal

Chemical identification
Pubchem identifier	8130
CAS identifier	111-71-7
DSSTOX identifier	DTXSID0021597
IUPAC name	Heptanal
SMILES	CCCCCCC=O
InChI	InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
InChIKey	FXHGMKSSBGDXIY-UHFFFAOYSA-N
Synonyms	Heptal; n-Heptal; Enthole; Enthal; n-Heptylaldehyde; Oenthal; Enthaldehyde; Oenthic aldehyde; Oenthol; n-Heptaldehyde; Heptylaldehyde; Heptyl aldehyde; Oenthaldehyde; Enthic aldehyde; Aldehyde C-7; Heptaldehyde; Heptaldehyde

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, Pome, Processed meat, Stone spices, Vegetable
Reference	[1]

Presence in Children's products
Broad category	Diet and Feeding
Subcategory	Infant Milk Formula

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
Catharanthus roseus	Plantae	Catharanthus	Apocynaceae
Penicillium expansum	Fungi	Penicillium	Trichocomaceae
Ganoderma lucidum	Fungi	Ganoderma	Ganodermataceae
Centaurea atropurpurea	Plantae	Centaurea	Asteraceae
Mangifera indica	Plantae	Mangifera	Anacardiaceae
Citrus limon	Plantae	Citrus	Rutaceae
Citrus aurantium	Plantae	Citrus	Rutaceae
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.