8-[(1R,2S)-2-(2-Carboxyethyl)cyclopentyl]octanoic acid
[CAS# 55582-47-3]

Identification

• Name: 8-[(1R,2S)-2-(2-Carboxyethyl)cyclopentyl]octanoic acid
• Synonyms: 8-[(1R,2S)-2-(2-Carboxyethyl)Cyclopentyl]Caprylic Acid; Tnpda; Tetranorprostanedioic Acid
• Molecular Formula: C₁₆H₂₈O₄
• Molecular Weight: 284.39
• CAS Registry Number: 55582-47-3
• SMILES: [C@@H]1([C@@H](CCC1)CCC(=O)O)CCCCCCCC(=O)O
• InChI: 1S/C16H28O4/c17-15(18)10-5-3-1-2-4-7-13-8-6-9-14(13)11-12-16(19)20/h13-14H,1-12H2,(H,17,18)(H,19,20)/t13-,14+/m1/s1
• InChIKey: VDSTWEBFEFGHLI-KGLIPLIRSA-N

Properties

• Density: 1.059g/cm³ (Cal.)
• Boiling point: 467.632°C at 760 mmHg (Cal.)
• Flash point: 250.731°C (Cal.)