5-(2-Dodecylphenyl)-4,6-Dithianonanedioic Acid
[CAS# 96964-39-5]

Identification

• Name: 5-(2-Dodecylphenyl)-4,6-Dithianonanedioic Acid
• Synonyms: 3-[[(2-Carboxyethylthio)-(2-Dodecylphenyl)Methyl]Thio]Propanoic Acid; 3-[[(2-Carboxyethylthio)-(2-Laurylphenyl)Methyl]Thio]Propionic Acid; Sk&F-102081
• Molecular Formula: C₂₅H₄₀O₄S₂
• Molecular Weight: 468.71
• CAS Registry Number: 96964-39-5
• SMILES: C1=CC=CC(=C1CCCCCCCCCCCC)C(SCCC(O)=O)SCCC(O)=O
• InChI: 1S/C25H40O4S2/c1-2-3-4-5-6-7-8-9-10-11-14-21-15-12-13-16-22(21)25(30-19-17-23(26)27)31-20-18-24(28)29/h12-13,15-16,25H,2-11,14,17-20H2,1H3,(H,26,27)(H,28,29)
• InChIKey: PEDBVGXUGSZQBG-UHFFFAOYSA-N

Properties

• Density: 1.114g/cm³ (Cal.)
• Boiling point: 620.579°C at 760 mmHg (Cal.)
• Flash point: 329.115°C (Cal.)