Sodium 2-(3-Hexoxy-2-Hydroxypropoxy)Benzoate
[CAS# 3478-44-2]

Identification

• Name: Sodium 2-(3-Hexoxy-2-Hydroxypropoxy)Benzoate
• Synonyms: Sodium 2-(3-Hexoxy-2-Hydroxy-Propoxy)Benzoate; 3-Hexoxy-1-(2'-Carboxyphenoxy)-Propanol-(2) Sodium Salt; Benzoic Acid, O-(3-(Hexyloxy)-2-Hydroxypropoxy)-, Monosodium Salt
• Molecular Formula: C₁₆H₂₃NaO₅
• Molecular Weight: 318.34
• CAS Registry Number: 3478-44-2
• EINECS: 222-454-0
• SMILES: C1=CC=CC(=C1C([O-])=O)OCC(O)COCCCCCC.[Na+]
• InChI: 1S/C16H24O5.Na/c1-2-3-4-7-10-20-11-13(17)12-21-15-9-6-5-8-14(15)16(18)19;/h5-6,8-9,13,17H,2-4,7,10-12H2,1H3,(H,18,19);/q;+1/p-1
• InChIKey: AHUAWUAHWZIPJC-UHFFFAOYSA-M

Properties

• Boiling point: 470°C at 760 mmHg (Cal.)
• Flash point: 168.2°C (Cal.)