Linalyl butyrate

• CAS: 78-36-4
• Catalog Number: ACM78364
• Category: Other Products
• Molecular Weight: 224.34
• Molecular Formula: C₁₄H₂₄O₂
• Synonyms: Butyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
• IUPAC Name: 3,7-Dimethylocta-1,6-dien-3-yl butanoate
• Canonical SMILES: CCCC(=O)OC(C)(CCC=C(C)C)C=C
• InChI: InChI=1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3
• InChI Key: FHLGUOHLUFIAAA-UHFFFAOYSA-N
• Boiling Point: 80-82 °C
• Flash Point: 218 °F
• Density: 0.892 g/mL at 25 °C(lit.)
• Solubility: Soluble in alcohols and oils, slightly soluble in water
• Exact Mass: 224.177630004
• Monoisotopic Mass: 224.177630004
• Odor: Heavy-fruity, sweet, pear-like odor
• Physical State: Liquid
• Refractive Index: n20/D 1.45(lit.)
• Topological Polar Surface Area: 26.3 Ų