2-Methyl-Propanoic Acid (2Z)-3,7-Dimethyl-2,6-Octadien-1-Yl Ester
[CAS 2345-24-6]

Identification

• Classification: Flavors and spices >> Synthetic spice >> Carboxylic acid and ester perfume >> Aliphatic carboxylate
• Name: 2-Methyl-Propanoic Acid (2Z)-3,7-Dimethyl-2,6-Octadien-1-Yl Ester
• Synonyms: 2-Methylpropanoic Acid [(2Z)-3,7-Dimethylocta-2,6-Dienyl] Ester; 2-Methylpropionic Acid [(2Z)-3,7-Dimethylocta-2,6-Dienyl] Ester; Cis-3,7-Dimethyl-2,6-Octadien-1-Yl Isobutyrate
• Molecular Formula: C₁₄H₂₄O₂
• Molecular Weight: 224.34
• CAS Registry Number: 2345-24-6
• EINECS: 219-061-1
• FEMA: 2775
• SMILES: C(OC(C(C)C)=O)\C=C(/CCC=C(C)C)C
• InChI: 1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9-
• InChIKey: OGJYXQFXLSCKTP-LCYFTJDESA-N

Properties

• Density: 0.896g/cm³ (Cal.)
• Boiling point: 295.012°C at 760 mmHg (Cal.)
• Flash point: 96.15°C (Cal.)