(6Z,9Z,11E,13S)-13-Hydroperoxy-6,9,11-Octadecatrienoic Acid
[CAS# 121107-97-9]

Identification

• Name: (6Z,9Z,11E,13S)-13-Hydroperoxy-6,9,11-Octadecatrienoic Acid
• Synonyms: "13S-hydroperoxy-6Z,9Z,11E-octadecatrienoic acid"; 13(S)-HpOTrE(?); 13(S)-HpOTrE(γ)
• Molecular Formula: C₁₈H₃₀O₄
• Molecular Weight: 310.43
• CAS Registry Number: 121107-97-9
• SMILES: CCCCC[C@@H](/C=C/C=C\C/C=C\CCCCC(=O)O)OO
• InChI: 1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h4,6-7,9,12,15,17,21H,2-3,5,8,10-11,13-14,16H2,1H3,(H,19,20)/b6-4-,9-7-,15-12+/t17-/m0/s1
• InChIKey: LYFGXCQTRBQQMX-KYLWABQHSA-N

Properties

• Density: 1.017g/cm³ (Cal.)
• Boiling point: 469.107°C at 760 mmHg (Cal.)
• Flash point: 160.238°C (Cal.)
• Refractive index: 1.504 (Cal.)