(E)-3,7-Dimethyl-2,6-octadienyl acetoacetate
[CAS# 10032-00-5]

Identification

• Classification: Flavors and spices >> Synthetic spice >> Carboxylic acid and ester perfume >> Aliphatic carboxylate
• Name: (E)-3,7-Dimethyl-2,6-octadienyl acetoacetate
• Synonyms: [(2E)-3,7-Dimethylocta-2,6-Dienyl] 3-Oxobutanoate; 3-Oxobutanoic Acid [(2E)-3,7-Dimethylocta-2,6-Dienyl] Ester; 3-Oxobutanoic Acid 3,7-Dimethylocta-2,6-Dienyl Ester
• Molecular Formula: C₁₄H₂₂O₃
• Molecular Weight: 238.33
• CAS Registry Number: 10032-00-5
• EINECS: 233-101-5
• FEMA: 2510
• SMILES: C(OC(CC(C)=O)=O)\C=C(\CCC=C(C)C)C
• 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+
• InChIKey: RYILZWKGLGVPOC-XYOKQWHBSA-N

Properties

• Density: 0.965g/cm³ (Cal.)
• Boiling point: 336.023°C at 760 mmHg (Cal.)
• Flash point: 144.175°C (Cal.)