4-Ethyl-2,6,7-Trioxa-1-Phosphabicyclo[2.2.2]Octane 1-Sulfide
[CAS# 224790-71-0]

Identification

• Name: 4-Ethyl-2,6,7-Trioxa-1-Phosphabicyclo[2.2.2]Octane 1-Sulfide
• Synonyms: 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, cyclic O,O,O-ester with phosphorothioic acid; 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, cyclic phosphate (1:1); 1,3-PROPANEDIOL, 2-ETHYL-2-(HYDROXYMETHYL)-, CYCLIC PHOSPHOROTHIOATE (1:1)
• Molecular Formula: C₆H₁₁O₃PS
• Molecular Weight: 194.19
• CAS Registry Number: 224790-71-0
• SMILES: S=P12OCC(CO1)(CO2)CC
• InChI: 1S/C6H11O3PS/c1-2-6-3-7-10(11,8-4-6)9-5-6/h2-5H2,1H3
• InChIKey: GHLWKNFZHQLFJX-UHFFFAOYSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 205.045°C at 760 mmHg (Cal.)
• Flash point: 77.809°C (Cal.)
• Refractive index: 1.533 (Cal.)