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

Myrcene

Chemical identification
Pubchem identifier	31253
CAS identifier	123-35-3
DSSTOX identifier	DTXSID6025692
IUPAC name	Myrcene
SMILES	CC(=CCCC(=C)C=C)C
InChI	InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
InChIKey	UAHWPYUMFXYFJY-UHFFFAOYSA-N
Synonyms	3-Methylene-7-methyl-1,6-octadiene; 7-Methyl-3-methyleneocta-1,6-diene; beta-Geraniolene; 2-Methyl-6-methylene-2,7-octadiene; 1,6-Octadiene, 7-methyl-3-methylene-; beta-Myrcene; Myrcene; 7-Methyl-3-methylene-1,6-octadiene

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

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

Presence in Children's products
Broad category	Miscellaneous
Subcategory	General Baby products

Chemical classification based on ClassyFire
Chemical kingdom	Organic compounds
Chemical super-class	Lipids and lipid-like molecules
Chemical class	Prenol lipids
Chemical subclass	Monoterpenoids

Natural source for the chemical
Organism	Kingdom	Genus	Family
Anacardium occidentale	Plantae	Anacardium	Anacardiaceae
Acorus calanus L.	Plantae	Acorus	Acoraceae
Mangifera indica	Plantae	Mangifera	Anacardiaceae
Humulus lupulus	Plantae	Humulus	Cannabaceae
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.