W312420

Vanillylacetone

≥98%, natural (US), FG

• Synonym(s): 4-(4-Hydroxy-3-methoxyphenyl)-2-butanone, Vanillyl acetone, Zingerone
• Linear Formula: 4-(HO)C₆H₃-3-(OCH₃)CH₂CH₂COCH₃
• CAS Number: 122-48-5
• Molecular Weight: 194.23
• FEMA Number: 3124
• EC Number: 204-548-3
• MDL number: MFCD00048232
• UNSPSC Code: 12164502
• Flavis number: 07.005
• NACRES: NA.21

Properties

• biological source: botanical
• Quality Level: 400
• grade: FG; Fragrance grade; Halal; Kosher; natural (US)
• Agency: follows IFRA guidelines
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002; FDA 21 CFR 172.510
• Assay: ≥98%
• refractive index: n20/D 1.541 (lit.)
• bp: 141 °C/0.5 mmHg (lit.)
• mp: 40-41 °C (lit.)
• density: 1.14 g/mL at 25 °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: spicy; balsamic; vanilla
• storage temp.: 2-8°C
• SMILES string: COc1cc(CCC(C)=O)ccc1O
• InChI: 1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3
• InChI key: OJYLAHXKWMRDGS-UHFFFAOYSA-N

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 2
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup