Demethylmenaquinone
[CAS# 29790-47-4]

Identification

• Name: Demethylmenaquinone
• Synonyms: 2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-Octaenyl]Naphthalene-1,4-Dione; 2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-Octaenyl]-1,4-Naphthoquinone; 2-(3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-Octaenyl)-1,4-Naphthoquinone
• Molecular Formula: C₅₀H₇₀O₂
• Molecular Weight: 703.10
• CAS Registry Number: 29790-47-4
• SMILES: C2=C1C(C(=CC(C1=CC=C2)=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)C)C)C)C)C)=O
• InChI: 1S/C50H70O2/c1-38(2)19-12-20-39(3)21-13-22-40(4)23-14-24-41(5)25-15-26-42(6)27-16-28-43(7)29-17-30-44(8)31-18-32-45(9)35-36-46-37-49(51)47-33-10-11-34-48(47)50(46)52/h10-11,19,21,23,25,27,29,31,33-35,37H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b39-21+,40-23+,41-25+,42-27+,43-29+,44-31+,45-35+
• InChIKey: GDUBPWSFXUAETN-AENDIINCSA-N

Properties

• Density: 0.96g/cm³ (Cal.)
• Boiling point: 757.711°C at 760 mmHg (Cal.)
• Flash point: 266.039°C (Cal.)