Tocofibrate
[CAS# 50465-39-9]

Identification

• Name: Tocofibrate
• Synonyms: [(2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-Trimethyltridecyl]Chroman-6-Yl] 2-(4-Chlorophenoxy)-2-Methyl-Propanoate; 2-(4-Chlorophenoxy)-2-Methylpropanoic Acid [(2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-Trimethyltridecyl]-6-Chromanyl] Ester; 2-(4-Chlorophenoxy)-2-Methyl-Propionic Acid [(2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-Trimethyltridecyl]Chroman-6-Yl] Ester
• Molecular Formula: C₃₉H₅₉ClO₄
• Molecular Weight: 627.35
• CAS Registry Number: 50465-39-9
• SMILES: [C@@]3(CCC1=C(C(=C(C(=C1C)OC(C(OC2=CC=C(Cl)C=C2)(C)C)=O)C)C)O3)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C
• InChI: 1S/C39H59ClO4/c1-26(2)14-11-15-27(3)16-12-17-28(4)18-13-24-39(10)25-23-34-31(7)35(29(5)30(6)36(34)44-39)42-37(41)38(8,9)43-33-21-19-32(40)20-22-33/h19-22,26-28H,11-18,23-25H2,1-10H3/t27-,28-,39-/m1/s1
• InChIKey: VPRFDABTJNLKKR-XHZSPPMBSA-N

Properties

• Density: 1.019g/cm³ (Cal.)
• Boiling point: 670.724°C at 760 mmHg (Cal.)
• Flash point: 150.797°C (Cal.)