2-Hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium 4-hydroxy-5-isopropyl-2-methylbenzenesulfonate
[CAS# 71929-27-6]

Identification

• Name: 2-Hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium 4-hydroxy-5-isopropyl-2-methylbenzenesulfonate
• Synonyms: tris(2-hydroxyethyl)ammonium thymol-6-sulphonate
• Molecular Formula: C₁₆H₂₉NO₇S
• Molecular Weight: 379.47
• CAS Registry Number: 71929-27-6
• EINECS: 276-197-4
• SMILES: CC(C)c1cc(c(C)cc1O)S([O-])(=O)=O.OCC[NH+](CCO)CCO
• InChI: 1S/C10H14O4S.C6H15NO3/c1-6(2)8-5-10(15(12,13)14)7(3)4-9(8)11;8-4-1-7(2-5-9)3-6-10/h4-6,11H,1-3H3,(H,12,13,14);8-10H,1-6H2
• InChIKey: KFNKAQCAAWTNRD-UHFFFAOYSA-N

Properties

• Boiling point: 639.7°C at 760 mmHg (Cal.)
• Flash point: 340.7°C (Cal.)