Isobutyl isovalerate

• CAS: 589-59-3
• Catalog Number: ACM589593
• Category: Other Products
• Molecular Weight: 158.24
• Molecular Formula: C9H18O2
• Description: 2-Methylpropyl-3-methylbutyrate has an aroma reminiscent of apple and raspberry.
• Synonyms: 2-Methylpropyl isovalerate
• IUPAC Name: 2-Methylpropyl 3-methylbutanoate
• Canonical SMILES: CC(C)CC(=O)OCC(C)C
• InChI: InChI=1S/C9H18O2/c1-7(2)5-9(10)11-6-8(3)4/h7-8H,5-6H2,1-4H3
• InChI Key: KEBDNKNVCHQIJU-UHFFFAOYSA-N
• Boiling Point: 168 °C
• Melting Point: -92.8 °C
• Flash Point: 57 °C
• Density: 0.853 g/mL at 20 °C(lit.)
• Solubility: Miscible with alcohol
• Appearance: Colorless to pale yellow clear liquid (est)
• Assay: 0.99
• EC Number: 209-653-8
• Exact Mass: 158.130679813
• MDL Number: MFCD00048349
• Monoisotopic Mass: 158.130679813
• Packaging: 25 kg/DRUMS
• Physical State: Liquid
• Refractive Index: n20/D 1.406(lit.)
• Storage Conditions: Dry place,Room Temperature
• Topological Polar Surface Area: 26.3 Ų