Ethyl 2-[(1E,3E,5E)-7-Ethoxy-3-Methyl-7-Oxohepta-1,3,5-Trienyl]-1,3-Dimethyl-4-Oxocyclohexane-1-Carboxylate
[CAS# 104544-35-6]

Identification

• Name: Ethyl 2-[(1E,3E,5E)-7-Ethoxy-3-Methyl-7-Oxohepta-1,3,5-Trienyl]-1,3-Dimethyl-4-Oxocyclohexane-1-Carboxylate
• Synonyms: Ethyl 2-[(1E,3E,5E)-7-Ethoxy-3-Methyl-7-Oxo-Hepta-1,3,5-Trienyl]-1,3-Dimethyl-4-Oxo-Cyclohexane-1-Carboxylate; 2-[(1E,3E,5E)-7-Ethoxy-3-Methyl-7-Oxohepta-1,3,5-Trienyl]-1,3-Dimethyl-4-Oxo-1-Cyclohexanecarboxylic Acid Ethyl Ester; 2-[(1E,3E,5E)-7-Ethoxy-7-Keto-3-Methyl-Hepta-1,3,5-Trienyl]-4-Keto-1,3-Dimethyl-Cyclohexane-1-Carboxylic Acid Ethyl Ester
• Molecular Formula: C₂₁H₃₀O₅
• Molecular Weight: 362.47
• CAS Registry Number: 104544-35-6
• SMILES: C(OC(=O)C1(C(C(C(=O)CC1)C)\C=C\C(=C\C=C\C(OCC)=O)C)C)C
• InChI: 1S/C21H30O5/c1-6-25-19(23)10-8-9-15(3)11-12-17-16(4)18(22)13-14-21(17,5)20(24)26-7-2/h8-12,16-17H,6-7,13-14H2,1-5H3/b10-8+,12-11+,15-9+
• InChIKey: STCXGUDTDNHACQ-UWILDCFWSA-N

Properties

• Density: 1.074g/cm³ (Cal.)
• Boiling point: 468.436°C at 760 mmHg (Cal.)
• Flash point: 201.268°C (Cal.)