(9S,10E,12Z,15Z)-9-Hydroperoxyoctadeca-10,12,15-Trienoic Acid
[CAS# 111004-08-1]

Identification

• Name: (9S,10E,12Z,15Z)-9-Hydroperoxyoctadeca-10,12,15-Trienoic Acid
• Synonyms: 10,12,15-Octadecatrienoic Acid 9-Hydroperoxy; 10,12,15-Octadecatrienoic Acid, 9-Hydroxyperoxy-, (S-(E,Z,Z))-; 9-Hydroperoxy-10,12,15-Octadecatrienoic Acid
• Molecular Formula: C₁₈H₃₀O₄
• Molecular Weight: 310.43
• CAS Registry Number: 111004-08-1
• SMILES: [C@H](OO)(CCCCCCCC(=O)O)\C=C\C=C/C/C=C\CC
• InChI: 1S/C18H30O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h3-4,6,8,11,14,17,21H,2,5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b4-3-,8-6-,14-11+/t17-/m1/s1
• InChIKey: RWKJTIHNYSIIHW-MEBVTJQTSA-N

Properties

• Density: 1.017g/cm³ (Cal.)
• Boiling point: 466.085°C at 760 mmHg (Cal.)
• Flash point: 158.949°C (Cal.)