[2-(4-Acetoxy-2-Isopropyl-5-Methylphenoxy)Ethyl]Dimethylammonium Dihydrogen -2-Hydroxypropane-1,2,3-Tricarboxylate
[CAS# 26162-66-3]

Identification

• Name: [2-(4-Acetoxy-2-Isopropyl-5-Methylphenoxy)Ethyl]Dimethylammonium Dihydrogen -2-Hydroxypropane-1,2,3-Tricarboxylate
• Synonyms: 2-(4-Acetoxy-2-Isopropyl-5-Methyl-Phenoxy)Ethyl-Dimethyl-Ammonium; 2-Carboxy-4-Hydroxy-2-(Hydroxymethyl)-4-Oxo-Butanoate; 2-(4-Acetoxy-2-Isopropyl-5-Methylphenoxy)Ethyl-Dimethylammonium; 2-Carboxy-4-Hydroxy-2-(Hydroxymethyl)-4-Oxobutanoate; 2-(4-Acetoxy-2-Isopropyl-5-Methyl-Phenoxy)Ethyl-Dimethyl-Ammonium; 2-Carboxy-4-Hydroxy-4-Keto-2-Methylol-Butyrate
• Molecular Formula: C₂₂H₃₃NO₁₀
• Molecular Weight: 471.50
• CAS Registry Number: 26162-66-3
• EINECS: 247-489-9
• SMILES: C1=C(OC(=O)C)C(=CC(=C1C(C)C)OCC[NH+](C)C)C.C(C(C([O-])=O)(C(=O)O)CO)C(=O)O
• InChI: 1S/C16H25NO3.C6H8O7/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6;7-2-6(4(10)11,5(12)13)1-3(8)9/h9-11H,7-8H2,1-6H3;7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)
• InChIKey: SAEPNWJRCLSHAR-UHFFFAOYSA-N

Properties

• Boiling point: 371°C at 760 mmHg (Cal.)
• Flash point: 178.2°C (Cal.)