[1-(5,8-Dihydroxy-1,4-Dioxonaphthalen-2-Yl)-4-Hydroxy-4-Methylpentyl] 3-Methylbut-2-Enoate
[CAS# 36883-11-1]

Identification

• Name: [1-(5,8-Dihydroxy-1,4-Dioxonaphthalen-2-Yl)-4-Hydroxy-4-Methylpentyl] 3-Methylbut-2-Enoate
• Synonyms: [1-(5,8-Dihydroxy-1,4-Dioxo-2-Naphthyl)-4-Hydroxy-4-Methyl-Pentyl] 3-Methylbut-2-Enoate; 3-Methylbut-2-Enoic Acid [1-(5,8-Dihydroxy-1,4-Dioxo-2-Naphthyl)-4-Hydroxy-4-Methylpentyl] Ester; 3-Methylbut-2-Enoic Acid [1-(5,8-Dihydroxy-1,4-Diketo-2-Naphthyl)-4-Hydroxy-4-Methyl-Pentyl] Ester
• Molecular Formula: C₂₁H₂₄O₇
• Molecular Weight: 388.42
• CAS Registry Number: 36883-11-1
• SMILES: C2=C(C1=C(C(C=C(C1=O)C(OC(C=C(C)C)=O)CCC(O)(C)C)=O)C(=C2)O)O
• InChI: 1S/C21H24O7/c1-11(2)9-17(25)28-16(7-8-21(3,4)27)12-10-15(24)18-13(22)5-6-14(23)19(18)20(12)26/h5-6,9-10,16,22-23,27H,7-8H2,1-4H3
• InChIKey: XZDWDACMRHBQDH-UHFFFAOYSA-N

Properties

• Density: 1.312g/cm³ (Cal.)
• Boiling point: 619.871°C at 760 mmHg (Cal.)
• Flash point: 216.969°C (Cal.)