3-Methylbutyl (2E)-2-(4-Hydroxy-3,5-Dimethoxybenzylidene)-3-Oxobutanoate
[CAS# 491851-36-6]

Identification

• Name: 3-Methylbutyl (2E)-2-(4-Hydroxy-3,5-Dimethoxybenzylidene)-3-Oxobutanoate
• Synonyms: Butanoic acid, 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]-3-oxo-, 3-methylbutyl ester
• Molecular Formula: C₁₈H₂₄O₆
• Molecular Weight: 336.38
• CAS Registry Number: 491851-36-6
• SMILES: COc1cc(cc(OC)c1O)\C=C(/C(C)=O)C(=O)OCCC(C)C
• InChI: 1S/C18H24O6/c1-11(2)6-7-24-18(21)14(12(3)19)8-13-9-15(22-4)17(20)16(10-13)23-5/h8-11,20H,6-7H2,1-5H3/b14-8+
• InChIKey: BVWNOBNTJJFVBL-RIYZIHGNSA-N

Properties

• Density: 1.147g/cm³ (Cal.)
• Boiling point: 463.824°C at 760 mmHg (Cal.)
• Flash point: 159.712°C (Cal.)
• Refractive index: 1.536 (Cal.)