[3,4-Bis(Hexanoylsulfanyl)-1-Hydroxybutyl]Phosphonic Acid
[CAS# 127572-15-0]

Identification

• Name: [3,4-Bis(Hexanoylsulfanyl)-1-Hydroxybutyl]Phosphonic Acid
• Synonyms: [3,4-Bis(Hexanoylsulfanyl)-1-Hydroxy-Butyl]Phosphonic Acid; [1-Hydroxy-3,4-Bis(1-Oxohexylthio)Butyl]Phosphonic Acid; [3,4-Bis(Caproylthio)-1-Hydroxy-Butyl]Phosphonic Acid
• Molecular Formula: C₁₆H₃₁O₆PS₂
• Molecular Weight: 414.51
• CAS Registry Number: 127572-15-0
• SMILES: C(C(O)[P](=O)(O)O)C(CSC(CCCCC)=O)SC(CCCCC)=O
• InChI: 1S/C16H31O6PS2/c1-3-5-7-9-15(18)24-12-13(11-14(17)23(20,21)22)25-16(19)10-8-6-4-2/h13-14,17H,3-12H2,1-2H3,(H2,20,21,22)
• InChIKey: OXPVZLDZKDHDMC-UHFFFAOYSA-N

Properties

• Density: 1.248g/cm³ (Cal.)
• Boiling point: 582.155°C at 760 mmHg (Cal.)
• Flash point: 305.877°C (Cal.)