5-Nicotinooxymethyl-alpha-Tocopherylnicotinate
[CAS# 51605-68-6]

Identification

• Name: 5-Nicotinooxymethyl-alpha-Tocopherylnicotinate
• Synonyms: 3-Pyridinecarboxylic Acid [2,7,8-Trimethyl-5-[[Oxo-(3-Pyridyl)Methoxy]Methyl]-2-(4,8,12-Trimethyltridecyl)-6-Chromanyl] Ester; Nicotinic Acid [2,7,8-Trimethyl-5-(Pyridine-3-Carbonyloxymethyl)-2-(4,8,12-Trimethyltridecyl)Chroman-6-Yl] Ester; [2,7,8-Trimethyl-5-(Pyridin-3-Ylcarbonyloxymethyl)-2-(4,8,12-Trimethyltridecyl)Chroman-6-Yl] Pyridine-3-Carboxylate
• Molecular Formula: C₄₁H₅₆N₂O₅
• Molecular Weight: 656.90
• CAS Registry Number: 51605-68-6
• SMILES: C1=NC=CC=C1C(OC3=C(C(=C2OC(CCC2=C3COC(=O)C4=CC=CN=C4)(CCCC(CCCC(CCCC(C)C)C)C)C)C)C)=O
• InChI: 1S/C41H56N2O5/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-21-41(7)22-20-35-36(27-46-39(44)33-18-11-23-42-25-33)37(31(5)32(6)38(35)48-41)47-40(45)34-19-12-24-43-26-34/h11-12,18-19,23-26,28-30H,8-10,13-17,20-22,27H2,1-7H3
• InChIKey: DQOYCYHUBHLMSJ-UHFFFAOYSA-N

Properties

• Density: 1.065g/cm³ (Cal.)
• Boiling point: 750.14°C at 760 mmHg (Cal.)
• Flash point: 407.47°C (Cal.)