5-(Hydroxymethyl)-2-Methyl-4-[[(1-Oxooctyl)Oxy]Methyl]-3-Pyridyloctanoic Acid
[CAS# 749-99-5]

Identification

• Name: 5-(Hydroxymethyl)-2-Methyl-4-[[(1-Oxooctyl)Oxy]Methyl]-3-Pyridyloctanoic Acid
• Synonyms: [5-(Hydroxymethyl)-2-Methyl-4-(Octanoyloxymethyl)-3-Pyridyl] Octanoate; Octanoic Acid [5-(Hydroxymethyl)-2-Methyl-4-(1-Oxooctoxymethyl)-3-Pyridyl] Ester; Caprylic Acid [4-(Caprylyloxymethyl)-2-Methyl-5-Methylol-3-Pyridyl] Ester
• Molecular Formula: C₂₄H₃₉NO₅
• Molecular Weight: 421.58
• CAS Registry Number: 749-99-5
• EINECS: 212-025-6
• SMILES: C1=C(C(=C(OC(=O)CCCCCCC)C(=N1)C)COC(=O)CCCCCCC)CO
• InChI: 1S/C24H39NO5/c1-4-6-8-10-12-14-22(27)29-18-21-20(17-26)16-25-19(3)24(21)30-23(28)15-13-11-9-7-5-2/h16,26H,4-15,17-18H2,1-3H3
• InChIKey: IVCPRWHRGQGMPM-UHFFFAOYSA-N

Properties

• Density: 1.051g/cm³ (Cal.)
• Boiling point: 520.622°C at 760 mmHg (Cal.)
• Flash point: 268.663°C (Cal.)