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

Methyl benzoate

Chemical identification
Pubchem identifier	7150
CAS identifier	93-58-3
DSSTOX identifier	DTXSID5025572
IUPAC name	Methyl benzoate
SMILES	COC(=O)C1=CC=CC=C1
InChI	InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey	QPJVMBTYPHYUOC-UHFFFAOYSA-N
Synonyms	Oil of niobe; Methylbenzoate; Essence of niobe; Methyl benzoate; Benzoic acid, methyl ester; Methylester kyseliny benzoove; Clorius; Niobe oil; Methyl benzenecarboxylate

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

Odor profile
Odor classes	Aromatic, Berry, Citrus, Dairy, Edible oil, Fermented, Floral, Fruity, Grain, Herbs, Maillard, Mineral, Peppers, Pome, Stone spices, Sweet spices, Vegetable
Reference	[1]

Presence in Children's products
Broad category	Skin care
Subcategory	Bath And Lotion

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

Natural source for the chemical
Organism	Kingdom	Genus	Family
Annona cherimola	Plantae	Annona	Annonaceae
Monstera deliciosa	Plantae	Monstera	Araceae
Silene latifolia	Plantae	Silene	Caryophyllaceae
Syzygium aromaticum	Plantae	Syzygium	Myrtaceae
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.