Linalyl isobutyrate

• CAS: 78-35-3
• Catalog Number: ACM78353
• Category: Other Products
• Molecular Weight: 224.34
• Molecular Formula: C14H24O2
• Description: Linalyl Isobutyrate is a flavoring agent that is a liquid, slightly yellow in color with a fruity odor. it is miscible in alcohol, ether, and chloroform, and insoluble in water. it is obtained by chemical synthesis. it is also termed 3,7-dimethyl-2,6-octadien-3-yl isobutrate.
• Synonyms: 1,5-Dimethyl-1-vinylhex-4-enylisobutyrat
• IUPAC Name: 3,7-Dimethylocta-1,6-dien-3-yl 2-methylpropanoate
• Canonical SMILES: CC(C)C(=O)OC(C)(CCC=C(C)C)C=C
• InChI: InChI=1S/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3
• InChI Key: JZIARAQCPRDGAC-UHFFFAOYSA-N
• Boiling Point: 305.75 °C
• Flash Point: 73.3°C
• Density: 1.0013 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water; miscible with alcohol and ether
• Appearance: Colorless to pale yellow clear liquid (est)
• Assay: 0.99
• EC Number: 201-108-2
• Exact Mass: 224.177630004
• Hazard Statements: Xi
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Monoisotopic Mass: 224.177630004
• Odor: Sweet, fresh, rosy odor
• Packaging: 25 kg/DRUMS
• Physical State: Liquid
• Refractive Index: n20/D 1.4576(lit.)
• Safety Description: S26-S37/39
• Topological Polar Surface Area: 26.3 Ų