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

Isoeugenol

Chemical identification
Pubchem identifier	853433
CAS identifier	97-54-1
DSSTOX identifier	DTXSID7022413
IUPAC name	Isoeugenol
SMILES	CC=CC1=CC(=C(C=C1)O)OC
InChI	InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+
InChIKey	BJIOGJUNALELMI-ONEGZZNKSA-N
Synonyms	4-Hydroxy-3-methoxy-1-propen-1-ylbenzene; 1-(3-Methoxy-4-hydroxyphenyl)-1-propene; 1-Hydroxy-2-methoxy-4-propenylbenzene; Phenol, 2-methoxy-4-(1-propenyl)-; Phenol, 2-methoxy-4-(1-propen-1-yl)-; 4-Propenylguaiacol; 4-Hydroxy-3-methoxy-1-propenylbenzene; 3-Methoxy-4-hydroxy-1-propen-1-ylbenzene; 1-Hydroxy-2-methoxy-4-propen-1-ylbenzene; 4-Hydroxy-3-methoxypropenylbenzene; Isoeugenol; 2-Methoxy-4-(1-propenyl)phenol; Phenol, 2-methoxy-4-propenyl-; 2-Methoxy-4-propenylphenol; Isoeugenol and isomers

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

Odor profile
Odor classes	Aromatic, Citrus, Edible oil, Floral, Sweet spices, Tropical, Vegetable
Reference	[1]

Presence in Children's products
Broad category	Diapering
Subcategory	Baby Wipes

Chemical classification based on ClassyFire
Chemical kingdom	Organic compounds
Chemical super-class	Benzenoids
Chemical class	Phenols
Chemical subclass	Methoxyphenols

Natural source for the chemical
Organism	Kingdom	Genus	Family
Myristica fragrans	Plantae	Myristica	Myristicaceae
Cinnamomum tamala	Plantae	Cinnamomum	Lauraceae
Apium graveolens	Plantae	Apium	Apiaceae
Litsea cubeba	Plantae	Litsea	Lauraceae
Ocimum gratissimum	Plantae	Ocimum	Labiatae
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.