D-alpha-Tocopherol Quinone
[CAS# 62726-91-4]

Identification

• Name: D-alpha-Tocopherol Quinone
• Synonyms: 2-[(3R,7R,11R)-3-Hydroxy-3,7,11,15-Tetramethyl-Hexadecyl]-1,4-Benzoquinone; 2-[(3R,7R,11R)-3-Hydroxy-3,7,11,15-Tetramethylhexadecyl]-1,4-Benzoquinone; 2-[(3R,7R,11R)-3-Hydroxy-3,7,11,15-Tetramethyl-Hexadecyl]-P-Benzoquinone
• Molecular Formula: C₂₆H₄₄O₃
• Molecular Weight: 404.63
• CAS Registry Number: 62726-91-4
• SMILES: [C@@](CCC1=CC(=O)C=CC1=O)(O)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
• InChI: 1S/C26H44O3/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5,29)18-16-23-19-24(27)14-15-25(23)28/h14-15,19-22,29H,6-13,16-18H2,1-5H3/t21-,22-,26-/m1/s1
• InChIKey: RYDAONHARCBTNC-XLGIIRLISA-N

Properties

• Density: 0.969g/cm³ (Cal.)
• Boiling point: 506.799°C at 760 mmHg (Cal.)
• Flash point: 274.393°C (Cal.)