Piperonyl isobutyrate

• CAS: 5461-08-5
• Catalog Number: ACM5461085
• Category: Other Products
• Molecular Weight: 222.24
• Molecular Formula: C₁₂H₁₄O₄
• Synonyms: 2-Methylpropionic acid 1,3-benzodioxol-5-ylmethyl ester
• IUPAC Name: 1,3-Benzodioxol-5-ylmethyl 2-methylpropanoate
• Canonical SMILES: CC(C)C(=O)OCC1=CC2=C(C=C1)OCO2
• InChI: InChI=1S/C12H14O4/c1-8(2)12(13)14-6-9-3-4-10-11(5-9)16-7-15-10/h3-5,8H,6-7H2,1-2H3
• InChI Key: RQULTIASPCVEFO-UHFFFAOYSA-N
• Boiling Point: 91-92 °C
• Flash Point: >230 °F
• Density: 1.154 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water; soluble in organic solvents, oils
• Exact Mass: 222.08920892
• Monoisotopic Mass: 222.08920892
• Odor: Mild, fruity, berry-like odor
• Physical State: Oily liquid
• Refractive Index: n20/D 1.511(lit.)
• Topological Polar Surface Area: 44.8 Ų