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

Benzyl acetate

Chemical identification
Pubchem identifier	8785
CAS identifier	140-11-4
DSSTOX identifier	DTXSID0020151
IUPAC name	Benzyl acetate
SMILES	CC(=O)OCC1=CC=CC=C1
InChI	InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey	QUKGYYKBILRGFE-UHFFFAOYSA-N
Synonyms	(Acetoxymethyl)benzene; Phenylmethyl ethanoate; Benzyl acetate; alpha-Acetoxytoluene; Benzylester kyseliny octove; Phenylmethyl acetate; Acetic acid, benzyl ester; Acetic acid, phenylmethyl ester; Benzyl ethanoate

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

Odor profile
Odor classes	Citrus, Floral, Herbs, Pome, Seed spices, Stone spices, Vegetable
Reference	[1]

Presence in Children's products
Broad category	Diapering, Hair care, Miscellaneous, Skin care
Subcategory	Baby Wipes, Baby Shampoo And Shower Gel, General Baby products, Baby Moisturizing Cream and Lotion, Bath And Lotion

Chemical classification based on ClassyFire
Chemical kingdom	Organic compounds
Chemical super-class	Benzenoids
Chemical class	Benzene and substituted derivatives
Chemical subclass	Benzyloxycarbonyls

Natural source for the chemical
Organism	Kingdom	Genus	Family
Mandragora autumnalis	Plantae	Mandragora	Solanaceae
Solanum quitoense	Plantae	Solanum	Solanaceae
Cinnamomum aureo-fulvum	Plantae	Cinnamomum	Lauraceae
Apis cerana	Animalia	Apis	Apidae
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.