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

Phenylacetic acid

Chemical identification
Pubchem identifier	999
CAS identifier	103-82-2
DSSTOX identifier	DTXSID2021656
IUPAC name	Phenylacetic acid
SMILES	C1=CC=C(C=C1)CC(=O)O
InChI	InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKey	WLJVXDMOQOGPHL-UHFFFAOYSA-N
Synonyms	Acetic acid, phenyl-; Phenylethanoic acid; Benzeneacetic acid; Phenylacetic acid; Benzecetic acid; Kyseli fenyloctova; Phenyllacetic acid; Benzylcarboxylic acid; alpha-Toluic acid; 2-Phenylacetic acid

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

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

Presence in Children's products
Broad category	Clothing and Accessories
Subcategory	Child Costumes

Chemical classification based on ClassyFire
Chemical kingdom	Organic compounds
Chemical super-class	Benzenoids
Chemical class	Benzene and substituted derivatives
Chemical subclass	Not available

Natural source for the chemical
Organism	Kingdom	Genus	Family
Anthyllis subsimplex	Plantae	Anthyllis	Fabaceae
Escherichia coli	Bacteria	Escherichia	Enterobacteriaceae
Rosa multiflora	Plantae	Rosa	Rosaceae
Pisum sativum	Plantae	Pisum	Fabaceae
Senecio scandens	Plantae	Senecio	Asteraceae
Arabidopsis thaliana	Plantae	Arabidopsis	Brassicaceae
Nicotiana tabacum	Plantae	Nicotiana	Solanaceae
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.