Vanillin isobutyrate

• CAS: 20665-85-4
• Catalog Number: ACM20665854
• Category: Other Products
• Molecular Weight: 222.24
• Molecular Formula: C12H14O4
• Synonyms: Propanoic acid, 2-methyl-, 4-formyl-2-methoxyphenyl ester
• IUPAC Name: (4-Formyl-2-methoxyphenyl) 2-methylpropanoate
• Canonical SMILES: CC(C)C(=O)OC1=C(C=C(C=C1)C=O)OC
• InChI: InChI=1S/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3
• InChI Key: BGKAKRUFBSTALK-UHFFFAOYSA-N
• Boiling Point: 312.9±27.0 °C
• Melting Point: 27-31 °C
• Flash Point: >230 °F
• Density: 1.12 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water; soluble in organic solvents, oils
• Appearance: Almost colorless liquid
• Assay: 0.99
• EC Number: 243-956-6
• Exact Mass: 222.08920892
• MDL Number: MFCD00169858
• Monoisotopic Mass: 222.08920892
• Packaging: 1 kg
• Physical State: Liquid
• Refractive Index: n20/D 1.524(lit.)
• Topological Polar Surface Area: 52.6 Ų