Vitamin K1-Hydroperoxide
[CAS# 15576-39-3]

Identification

• Name: Vitamin K1-Hydroperoxide
• Synonyms: 2-[(E)-3-Hydroperoxy-3,7,11,15-Tetramethyl-Hexadec-1-Enyl]-3-Methyl-Naphthalene-1,4-Dione; 2-[(E)-3-Hydroperoxy-3,7,11,15-Tetramethyl-Hexadec-1-Enyl]-3-Methyl-1,4-Naphthoquinone; K1-Hydroperoxide
• Molecular Formula: C₃₁H₄₆O₄
• Molecular Weight: 482.70
• CAS Registry Number: 15576-39-3
• SMILES: C1=CC=CC2=C1C(=O)C(=C(C2=O)C)\C=C\C(OO)(CCCC(CCCC(CCCC(C)C)C)C)C
• InChI: 1S/C31H46O4/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-31(6,35-34)21-19-26-25(5)29(32)27-17-7-8-18-28(27)30(26)33/h7-8,17-19,21-24,34H,9-16,20H2,1-6H3/b21-19+
• InChIKey: YUTUNMUCBDSKNC-XUTLUUPISA-N

Properties

• Density: 1.049g/cm³ (Cal.)
• Boiling point: 605.379°C at 760 mmHg (Cal.)
• Flash point: 186.439°C (Cal.)