2-Methyl-2-[(Octanoyloxy)Methyl]-1,3-Propanediol Dioctanoate
[CAS# 67874-06-0]

Identification

• Name: 2-Methyl-2-[(Octanoyloxy)Methyl]-1,3-Propanediol Dioctanoate
• Synonyms: Octanoic Acid [2-Methyl-3-(1-Oxooctoxy)-2-(1-Oxooctoxymethyl)Propyl] Ester; Caprylic Acid [3-Caprylyloxy-2-(Caprylyloxymethyl)-2-Methyl-Propyl] Ester; Trimethanol Ethane Tricaprylate
• Molecular Formula: C₂₉H₅₄O₆
• Molecular Weight: 498.74
• CAS Registry Number: 67874-06-0
• SMILES: C(OC(=O)CCCCCCC)C(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)C
• InChI: 1S/C29H54O6/c1-5-8-11-14-17-20-26(30)33-23-29(4,24-34-27(31)21-18-15-12-9-6-2)25-35-28(32)22-19-16-13-10-7-3/h5-25H2,1-4H3
• InChIKey: YGVPUMJJMNBLAR-UHFFFAOYSA-N

Properties

• Density: 0.963g/cm³ (Cal.)
• Boiling point: 553.422°C at 760 mmHg (Cal.)
• Flash point: 227.275°C (Cal.)