3-Allyl-beta-Lapachone
[CAS# 69655-91-0]

Identification

• Name: 3-Allyl-beta-Lapachone
• Synonyms: 3-Allyl-2,2-Dimethyl-3,4-Dihydrobenzo[H]Chromene-5,6-Dione; 3-Allyl-2,2-Dimethyl-3,4-Dihydrobenzo[H]Chromene-5,6-Quinone; 3-Allyl-Beta-Lapachone
• Molecular Formula: C₁₈H₁₈O₃
• Molecular Weight: 282.34
• CAS Registry Number: 69655-91-0
• SMILES: C1=CC=CC2=C1C3=C(C(=O)C2=O)CC(C(O3)(C)C)CC=C
• InChI: 1S/C18H18O3/c1-4-7-11-10-14-16(20)15(19)12-8-5-6-9-13(12)17(14)21-18(11,2)3/h4-6,8-9,11H,1,7,10H2,2-3H3
• InChIKey: YFQUWLQTHVIBJA-UHFFFAOYSA-N

Properties

• Density: 1.185g/cm³ (Cal.)
• Boiling point: 409.476°C at 760 mmHg (Cal.)
• Flash point: 180.207°C (Cal.)