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

1-Heptanol

Chemical identification
Pubchem identifier	8129
CAS identifier	111-70-6
DSSTOX identifier	DTXSID8021937
IUPAC name	1-Heptanol
SMILES	CCCCCCCO
InChI	InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
InChIKey	BBMCTIGTTCKYKF-UHFFFAOYSA-N
Synonyms	Hexyl carbinol; Heptan-1-ol; Pri-n-heptyl alcohol; N-Heptanol-1; 1-Heptanol; C7 alcohol; Fatty alcohol(C7); n-Heptanol; n-Heptyl alcohol; Hydroxy heptane; Heptyl alcohol; Enthic alcohol; Heptyl alcohol, primary; Hydroxyheptane; Gentanol; Enthyl alcohol; Alcohol C-7; n-Heptan-1-ol; Heptanol; 1-Hydroxyheptane

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, Tropical, 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	Lipids and lipid-like molecules
Chemical class	Fatty Acyls
Chemical subclass	Fatty alcohols

Natural source for the chemical
Organism	Kingdom	Genus	Family
Rosa rugosa	Plantae	Rosa	Rosaceae
Capillipedium parviflorum	Plantae	Capillipedium	Poaceae
Echinophora platyloba	Plantae	Echinophora	Apiaceae
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.