2-Methyl-3-(3-methyl-2-butenyl)-1,4-naphthalenedione
[CAS# 957-78-8]

Identification

• Name: 2-Methyl-3-(3-methyl-2-butenyl)-1,4-naphthalenedione
• Synonyms: 2-Methyl-3-(3-Methylbut-2-Enyl)-1,4-Naphthoquinone; 1,4-Naphthoquinone, 2-Methyl-3-(3-Methyl-2-Butenyl)-; Lepachol Acetate
• Molecular Formula: C₁₆H₁₆O₂
• Molecular Weight: 240.30
• CAS Registry Number: 957-78-8
• SMILES: C2=C1C(C(=C(C(C1=CC=C2)=O)C)CC=C(C)C)=O
• InChI: 1S/C16H16O2/c1-10(2)8-9-12-11(3)15(17)13-6-4-5-7-14(13)16(12)18/h4-8H,9H2,1-3H3
• InChIKey: ABSPRNADVQNDOU-UHFFFAOYSA-N

Properties

• Density: 1.097g/cm³ (Cal.)
• Boiling point: 368.774°C at 760 mmHg (Cal.)
• Flash point: 138.353°C (Cal.)