Geranyl hexanoate

• Catalog Number: ACM10032027
• Product Name: Geranyl hexanoate
• CAS: 10032-02-7
• Category: Heterocyclic Organic Compound
• Synonyms: Hexanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester
• IUPAC Name: [(2E)-3,7-Dimethylocta-2,6-dienyl] hexanoate
• Molecular Weight: 252.39
• Molecular Formula: C₁₆H₂₈O₂
• Canonical SMILES: CCCCCC(=O)OCC=C(C)CCC=C(C)C
• InChI: InChI=1S/C16H28O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,12H,5-8,10-11,13H2,1-4H3/b15-12+
• InChI Key: ARVSCQUZFFSNKF-NTCAYCPXSA-N
• Boiling Point: 335.57 °C
• Flash Point: 93 °C
• Density: 0.892 g/mL at 25 °C(lit.)
• EC Number: 233-102-0
• Exact Mass: 252.208930132
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Isomeric SMILES: CCCCCC(=O)OC/C=C(\C)/CCC=C(C)C
• Monoisotopic Mass: 252.208930132
• Odor: Rose-geranium, pineapple, banana odor
• Physical State: Liquid
• Refractive Index: n20/D1.462(lit.)
• Topological Polar Surface Area: 26.3 Ų