(-)-2-[4-[(S)-1-Acetoxy-4-Methyl-3-Pentenyl]-2-Furanyl]-2,5-Cyclohexadiene-1,4-Dione
[CAS# 80348-64-7]

Identification

• Name: (-)-2-[4-[(S)-1-Acetoxy-4-Methyl-3-Pentenyl]-2-Furanyl]-2,5-Cyclohexadiene-1,4-Dione
• Synonyms: [(1S)-1-[5-(3,6-Dioxo-1-Cyclohexa-1,4-Dienyl)-3-Furyl]-4-Methyl-Pent-3-Enyl] Acetate; Acetic Acid [(1S)-1-[5-(3,6-Dioxo-1-Cyclohexa-1,4-Dienyl)-3-Furyl]-4-Methylpent-3-Enyl] Ester; Acetic Acid [(1S)-1-[5-(3,6-Diketo-1-Cyclohexa-1,4-Dienyl)-3-Furyl]-4-Methyl-Pent-3-Enyl] Ester
• Molecular Formula: C₁₈H₁₈O₅
• Molecular Weight: 314.34
• CAS Registry Number: 80348-64-7
• SMILES: [C@@H](C1=COC(=C1)C2=CC(C=CC2=O)=O)(CC=C(C)C)OC(=O)C
• InChI: 1S/C18H18O5/c1-11(2)4-7-17(23-12(3)19)13-8-18(22-10-13)15-9-14(20)5-6-16(15)21/h4-6,8-10,17H,7H2,1-3H3/t17-/m0/s1
• InChIKey: KUMRDPIXRZXXRO-KRWDZBQOSA-N

Properties

• Density: 1.207g/cm³ (Cal.)
• Boiling point: 451.391°C at 760 mmHg (Cal.)
• Flash point: 226.793°C (Cal.)