Geranyl isobutyrate

• Catalog Number: ACM2345268
• Product Name: Geranyl isobutyrate
• CAS: 2345-26-8
• Category: Heterocyclic Organic Compound
• Synonyms: 3,7-Dimethyl-2,6-octadienyl isobutyrate
• IUPAC Name: [(2E)-3,7-Dimethylocta-2,6-dienyl] 2-methylpropanoate
• Molecular Weight: 224.34
• Molecular Formula: C14H24O2
• Canonical SMILES: CC(C)C(=O)OCC=C(C)CCC=C(C)C
• InChI: InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9+
• InChI Key: OGJYXQFXLSCKTP-UKTHLTGXSA-N
• Boiling Point: 305.75 °C
• Flash Point: 96.1°C
• Density: 0.8997 g/mL at 25 °C(lit.)
• Solubility: Soluble in most organic solvents; insoluble in water
• Assay: 0.99
• Exact Mass: 224.177630004
• Isomeric SMILES: CC(C)C(=O)OC/C=C(\C)/CCC=C(C)C
• Monoisotopic Mass: 224.177630004
• Packaging: 1 ton
• Physical State: Oily liquid
• Refractive Index: n20/D 1.4576(lit.)
• Topological Polar Surface Area: 26.3 Ų