2,7-Dimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol
[CAS# 91-86-1]

Identification

• Name: 2,7-Dimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol
• Synonyms: n-Tocopherol; η-tocopherol
• Molecular Formula: C₂₇H₄₆O₂
• Molecular Weight: 402.65
• CAS Registry Number: 91-86-1
• SMILES: Oc2c(cc1OC(CCc1c2)(C)CCCC(C)CCCC(C)CCCC(C)C)C
• InChI: 1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)23(5)18-26(24)29-27/h18-22,28H,7-17H2,1-6H3
• InChIKey: PZZKGQBMBVYPGR-UHFFFAOYSA-N

Properties

• Density: 0.936g/cm³ (Cal.)
• Boiling point: 505.548°C at 760 mmHg (Cal.)
• Flash point: 200.956°C (Cal.)