W508454

Acetovanillone

≥98%, FG

• Synonym(s): 4′-Hydroxy-3′-methoxyacetophenone, Acetovanillone, Apocynin
• Linear Formula: HOC₆H₃(OCH₃)COCH₃
• CAS Number: 498-02-2
• Molecular Weight: 166.17
• Beilstein: 637373
• EC Number: 207-854-5
• MDL number: MFCD00008747
• UNSPSC Code: 12164502
• PubChem Substance ID: 24902039
• Flavis number: 7.142
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Fragrance grade; Halal
• Agency: follows IFRA guidelines
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 872/2012; FDA 21 CFR 110
• Assay: ≥98%
• bp: 263-265 °C/17 mmHg (lit.)
• mp: 112-115 °C (lit.)
• application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• fragrance allergen: no known allergens
• Organoleptic: vanilla
• SMILES string: COc1cc(ccc1O)C(C)=O
• InChI: 1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3
• InChI key: DFYRUELUNQRZTB-UHFFFAOYSA-N

Description

General description

Acetovanillone is a structural analog of vanillin that occurs mainly in wine aged in oak barrels. It is a potent NADPH oxidase inhibitor.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 2
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves