Isobutyl butyrate

• CAS: 539-90-2
• Catalog Number: ACM539902
• Category: Other Products
• Molecular Weight: 144.21
• Molecular Formula: C8H16O2
• Description: Isobutyl butyrate is a metabolite of Rifampicin, a Rifamycin antibiotic.
• Synonyms: Butanoic acid, isobutyl ester
• IUPAC Name: 2-Methylpropyl butanoate
• Canonical SMILES: CCCC(=O)OCC(C)C
• InChI: InChI=1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3
• InChI Key: RGFNRWTWDWVHDD-UHFFFAOYSA-N
• Boiling Point: 157-158 °C
• Melting Point: -88.07 °C
• Flash Point: 114 °F
• Density: 0.861 g/mL at 25 °C(lit.)
• Solubility: Soluble in most fixed oils; slightly soluble in water; insoluble in glycerol
• Appearance: Colorless to pale yellow liquid with banana-pineapple-pear sweet odor
• Assay: 0.99
• Exact Mass: 144.115029749
• Monoisotopic Mass: 144.115029749
• Packaging: 25 kg/DRUMS
• Physical State: Liquid
• Refractive Index: n20/D 1.403(lit.)
• Topological Polar Surface Area: 26.3 Ų