7,8-Dihydro-4a-hydroperoxy-1a,3,4,6-tetramethyl-6-(4,8,12-trimethyltridecyl)-1aH,6H-oxireno(e)(1)benzopyran-2(4aH)-one
[CAS# 128442-18-2]

Identification

• Name: 7,8-Dihydro-4a-hydroperoxy-1a,3,4,6-tetramethyl-6-(4,8,12-trimethyltridecyl)-1aH,6H-oxireno(e)(1)benzopyran-2(4aH)-one
• Synonyms: 7,8-Dihydro-4A-Hydroperoxy-1A,3,4,6-Tetramethyl-6-(4,8,12-Trimethyltridecyl)-1Ah,6H-Oxireno(E)(1)Benzopyran-2(4Ah)-One; Epoxytocopherone
• Molecular Formula: C₂₉H₅₀O₅
• Molecular Weight: 478.71
• CAS Registry Number: 128442-18-2
• SMILES: C(C3(OC2(OO)C1(OC1(C(=O)C(=C2C)C)C)CC3)C)CCC(CCCC(CCCC(C)C)C)C
• InChI: 1S/C29H50O5/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-26(7)18-19-28-27(8,33-28)25(30)23(5)24(6)29(28,32-26)34-31/h20-22,31H,9-19H2,1-8H3
• InChIKey: FTDAVYLKBDZWCU-UHFFFAOYSA-N

Properties

• Density: 1.051g/cm³ (Cal.)
• Boiling point: 570.399°C at 760 mmHg (Cal.)
• Flash point: 174.693°C (Cal.)