1,2-Dioleoyl-3-S-Tetradecyl-3-Thioglycerol S-Oxide
[CAS# 80995-98-8]

Identification

• Name: 1,2-Dioleoyl-3-S-Tetradecyl-3-Thioglycerol S-Oxide
• Synonyms: [2-[(Z)-Octadec-9-Enoyl]Oxy-3-Tetradecylsulfinyl-Propyl] (E)-Octadec-9-Enoate; (E)-Octadec-9-Enoic Acid [2-[(Z)-1-Oxooctadec-9-Enoxy]-3-Tetradecylsulfinylpropyl] Ester; (E)-Octadec-9-Enoic Acid [3-Myristylsulfinyl-2-[(Z)-Octadec-9-Enoyl]Oxy-Propyl] Ester
• Molecular Formula: C₅₃H₁₀₀O₅S
• Molecular Weight: 849.43
• CAS Registry Number: 80995-98-8
• SMILES: C(C(C[S](=O)CCCCCCCCCCCCCC)OC(CCCCCCC\C=C/CCCCCCCC)=O)OC(CCCCCCC\C=C\CCCCCCCC)=O
• InChI: 1S/C53H100O5S/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-52(54)57-49-51(50-59(56)48-45-42-39-36-33-24-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,51H,4-24,29-50H2,1-3H3/b27-25+,28-26-
• InChIKey: ROYVFLOUYRVIPH-MPCWFZQZSA-N

Properties

• Density: 0.936g/cm³ (Cal.)
• Boiling point: 837.259°C at 760 mmHg (Cal.)
• Flash point: 460.158°C (Cal.)