Isobutyl (2E)-2-(4-hydroxy-3,5-dimethoxybenzylidene)-3-oxobutanoate
[CAS# 803745-54-2]

Identification

• Name: Isobutyl (2E)-2-(4-hydroxy-3,5-dimethoxybenzylidene)-3-oxobutanoate
• Synonyms: Butanoic acid, 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]-3-oxo-, 2-methylpropyl ester
• Molecular Formula: C₁₇H₂₂O₆
• Molecular Weight: 322.35
• CAS Registry Number: 803745-54-2
• SMILES: COc1cc(cc(OC)c1O)\C=C(/C(C)=O)C(=O)OCC(C)C
• InChI: 1S/C17H22O6/c1-10(2)9-23-17(20)13(11(3)18)6-12-7-14(21-4)16(19)15(8-12)22-5/h6-8,10,19H,9H2,1-5H3/b13-6+
• InChIKey: PDESNCOGGVWEHG-AWNIVKPZSA-N

Properties

• Density: 1.165g/cm³ (Cal.)
• Boiling point: 451.938°C at 760 mmHg (Cal.)
• Flash point: 157.83°C (Cal.)
• Refractive index: 1.539 (Cal.)