Tocofenoxate
[CAS# 61343-44-0]

Identification

• Name: Tocofenoxate
• Synonyms: 2-(4-Chlorophenoxy)Acetic Acid [2,5,7,8-Tetramethyl-2-(4,8,12-Trimethyltridecyl)-6-Chromanyl] Ester; 2-(4-Chlorophenoxy)Acetic Acid [2,5,7,8-Tetramethyl-2-(4,8,12-Trimethyltridecyl)Chroman-6-Yl] Ester; [2,5,7,8-Tetramethyl-2-(4,8,12-Trimethyltridecyl)Chroman-6-Yl] 2-(4-Chlorophenoxy)Ethanoate
• Molecular Formula: C₃₇H₅₅ClO₄
• Molecular Weight: 599.29
• CAS Registry Number: 61343-44-0
• SMILES: C1=CC(=CC=C1OCC(OC3=C(C2=C(OC(CCCC(CCCC(CCCC(C)C)C)C)(C)CC2)C(=C3C)C)C)=O)Cl
• InChI: 1S/C37H55ClO4/c1-25(2)12-9-13-26(3)14-10-15-27(4)16-11-22-37(8)23-21-33-30(7)35(28(5)29(6)36(33)42-37)41-34(39)24-40-32-19-17-31(38)18-20-32/h17-20,25-27H,9-16,21-24H2,1-8H3
• InChIKey: BSKVVWMQRIUXTP-UHFFFAOYSA-N

Properties

• Density: 1.029g/cm³ (Cal.)
• Boiling point: 657.405°C at 760 mmHg (Cal.)
• Flash point: 156.651°C (Cal.)