Catalog Number
ACM20665854
Product Name
Vanillin isobutyrate
Category
Heterocyclic Organic Compound
Synonyms
Propanoic acid, 2-methyl-, 4-formyl-2-methoxyphenyl ester
IUPAC Name
(4-Formyl-2-methoxyphenyl) 2-methylpropanoate
Molecular Formula
C12H14O4
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
Density
1.12 g/mL at 25 °C(lit.)
Solubility
Insoluble in water; soluble in organic solvents, oils
Appearance
Almost colorless liquid
Monoisotopic Mass
222.08920892
Refractive Index
n20/D 1.524(lit.)
Topological Polar Surface Area
52.6 Ų
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![(2R)-4,5-Dihydroxy-2-[(4S)-2-phenyl-1,3-dioxolan-4-yl]furan-3-one](https://resource.alfa-chemistry.com/structure/20664-60-2.gif)
