Linalyl hexanoate

• CAS: 7779-23-9
• Catalog Number: ACM7779239
• Category: Other Products
• Molecular Weight: 252.39
• Molecular Formula: C₁₆H₂₈O₂
• Synonyms: Linalyl caproate
• IUPAC Name: 3,7-Dimethylocta-1,6-dien-3-yl hexanoate
• Canonical SMILES: CCCCCC(=O)OC(C)(CCC=C(C)C)C=C
• InChI: InChI=1S/C16H28O2/c1-6-8-9-12-15(17)18-16(5,7-2)13-10-11-14(3)4/h7,11H,2,6,8-10,12-13H2,1,3-5H3
• InChI Key: ALKCLFLTXBBMMP-UHFFFAOYSA-N
• Boiling Point: 301 °C
• Flash Point: 81 °C
• Density: 0.886-0.892 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water, soluble in alcohol and oils
• Exact Mass: 252.208930132
• Monoisotopic Mass: 252.208930132
• Physical State: Oily liquid
• Refractive Index: n20/D 1.451-1.460(lit.)
• Topological Polar Surface Area: 26.3 Ų