(2E,6E,9E)-3,7-Dimethyl-8,11-Dioxododeca-2,6,9-Trienal
[CAS# 36518-11-3]

Identification

• Name: (2E,6E,9E)-3,7-Dimethyl-8,11-Dioxododeca-2,6,9-Trienal
• Synonyms: (2E,6E,9E)-3,7-Dimethyl-8,11-Dioxo-Dodeca-2,6,9-Trienal; (2E,6E,9E)-8,11-Diketo-3,7-Dimethyl-Dodeca-2,6,9-Trienal; 3,7-Dimethyl-8,11-Dioxo-2,6,9-Dodecatrienal
• Molecular Formula: C₁₄H₁₈O₃
• Molecular Weight: 234.29
• CAS Registry Number: 36518-11-3
• SMILES: C(\C=C(C(=O)\C=C\C(=O)C)/C)C\C(=C\C=O)C
• InChI: 1S/C14H18O3/c1-11(9-10-15)5-4-6-12(2)14(17)8-7-13(3)16/h6-10H,4-5H2,1-3H3/b8-7+,11-9+,12-6+
• InChIKey: PQXIJIXNDRFJBT-WWUHPALESA-N

Properties

• Density: 1.011g/cm³ (Cal.)
• Boiling point: 415.868°C at 760 mmHg (Cal.)
• Flash point: 179.877°C (Cal.)

References

• (1): Schildknecht Hermann. Chemical Ecology?A Chapter of Modern Natural Products Chemistry, Angewandte Chemie International Edition in English, 1976