8alpha-Hydroperoxy-2-Methyl-2-(4,8,12-Trimethyltridecyl)-3,4-Dihydrochromen-6-One
[CAS# 141913-27-1]

Identification

• Name: 8alpha-Hydroperoxy-2-Methyl-2-(4,8,12-Trimethyltridecyl)-3,4-Dihydrochromen-6-One
• Synonyms: 2H-1-Benzopyran-6(8Ah)-One, 3,4-Dihydro-8A-Hydroperoxy-2-Methyl-2-(4,8,12-Trimethyltridecyl)-; 8A-Hydroperoxy-Tocopherone; Toc-Ooh
• Molecular Formula: C₂₆H₄₄O₄
• Molecular Weight: 420.63
• CAS Registry Number: 141913-27-1
• SMILES: C(C2(OC1(OO)C(=CC(=O)C=C1)CC2)C)CCC(CCCC(CCCC(C)C)C)C
• InChI: 1S/C26H44O4/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-16-25(5)17-14-23-19-24(27)15-18-26(23,29-25)30-28/h15,18-22,28H,6-14,16-17H2,1-5H3
• InChIKey: KGTQMSAPGQUKQR-UHFFFAOYSA-N

Properties

• Density: 1.019g/cm³ (Cal.)
• Boiling point: 540.604°C at 760 mmHg (Cal.)
• Flash point: 170.413°C (Cal.)