Vanillin isobutyrate

Catalog	ACM20665854
CAS	20665-85-4
Structure
Synonyms	Propanoic acid, 2-methyl-, 4-formyl-2-methoxyphenyl ester
IUPAC Name	(4-Formyl-2-methoxyphenyl) 2-methylpropanoate
Molecular Weight	222.24
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
Melting Point	27-31 °C
Flash Point	>230 °F
Purity	98%+
Density	1.12 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in organic solvents, oils
Appearance	Almost colorless liquid
Exact Mass	222.08920892
Monoisotopic Mass	222.08920892
Physical State	Liquid
Refractive Index	n20/D 1.524(lit.)
Topological Polar Surface Area	52.6 Ų