2,5,7,8-Tetramethyl-2-(4,8,12-Trimethyltridecyl)-6-Chlorochroman
[CAS# 80040-98-8]

Identification

• Name: 2,5,7,8-Tetramethyl-2-(4,8,12-Trimethyltridecyl)-6-Chlorochroman
• Synonyms: 2,5,7,8-Tetramethyl-2-(4,8,12-Trimethyltridecyl)-6-Chlorochroman; 2H-1-Benzopyran, 6-Chloro-3,4-Dihydro-2,5,7,8-Tetramethyl-2-(4,8,12-Trimethyltridecyl)-, (2R-(2R*(4R*,8R*)))-; Chlorinated Alpha-Tocopherol
• Molecular Formula: C₂₉H₄₉ClO
• Molecular Weight: 449.16
• CAS Registry Number: 80040-98-8
• SMILES: [C@@]2(CCC1=C(C(=C(C(=C1O2)C)C)Cl)C)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C
• InChI: 1S/C29H49ClO/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
• InChIKey: IEKYONPBVCJRKS-IEOSBIPESA-N

Properties

• Density: 0.943g/cm³ (Cal.)
• Boiling point: 520.819°C at 760 mmHg (Cal.)
• Flash point: 261.152°C (Cal.)