4-Hydroxy-5-((2-Carboxyethyl)Thio)-6-Nonadecenoic Acid
[CAS# 95061-94-2]

Identification

• Name: 4-Hydroxy-5-((2-Carboxyethyl)Thio)-6-Nonadecenoic Acid
• Synonyms: (E)-5-(2-Carboxyethylsulfanyl)-4-Hydroxy-Nonadec-6-Enoic Acid; (E)-5-(2-Carboxyethylthio)-4-Hydroxynonadec-6-Enoic Acid; 3-[[(E)-1-(1,4-Dihydroxy-4-Keto-Butyl)Pentadec-2-Enyl]Thio]Propionic Acid
• Molecular Formula: C₂₂H₄₀O₅S
• Molecular Weight: 416.62
• CAS Registry Number: 95061-94-2
• SMILES: C(C(=O)O)CC(C(\C=C\CCCCCCCCCCCC)SCCC(=O)O)O
• InChI: 1S/C22H40O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(28-18-17-22(26)27)19(23)15-16-21(24)25/h13-14,19-20,23H,2-12,15-18H2,1H3,(H,24,25)(H,26,27)/b14-13+
• InChIKey: VXONFJQHQJLICT-BUHFOSPRSA-N

Properties

• Density: 1.077g/cm³ (Cal.)
• Boiling point: 614.216°C at 760 mmHg (Cal.)
• Flash point: 325.266°C (Cal.)