Geranyl acetoacetate

• CAS: 10032-00-5
• Catalog Number: ACM10032005
• Category: Other Products
• Molecular Weight: 238.32
• Molecular Formula: C14H22O3
• Synonyms: Acetoacetic acid (2E)-3,7-dimethyl-2,6-octadienyl ester
• IUPAC Name: [(2E)-3,7-Dimethylocta-2,6-dienyl] 3-oxobutanoate
• Canonical SMILES: CC(=CCCC(=CCOC(=O)CC(=O)C)C)C
• InChI: InChI=1S/C14H22O3/c1-11(2)6-5-7-12(3)8-9-17-14(16)10-13(4)15/h6,8H,5,7,9-10H2,1-4H3/b12-8+
• InChI Key: RYILZWKGLGVPOC-XYOKQWHBSA-N
• Boiling Point: 305.7 °C
• Flash Point: 144.2°C
• Density: 1.0969 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water; soluble in alcohol and oil
• Assay: 0.98
• Exact Mass: 238.15689456
• Isomeric SMILES: CC(=CCC/C(=C/COC(=O)CC(=O)C)/C)C
• Monoisotopic Mass: 238.15689456
• Odor: Sweet, fruity, winey, fermented apple-like odor
• Packaging: 1 kg
• Physical State: Oily liquid
• Refractive Index: n20/D 1.474(lit.)
• Topological Polar Surface Area: 43.4 Ų