Decanoic Acid, Ester With 2,2-Bis(Hydroxymethyl)-1,3-Propanediol 2-Ethylhexanoate Octanoate
[CAS# 68130-25-6]

Identification

• Name: Decanoic Acid, Ester With 2,2-Bis(Hydroxymethyl)-1,3-Propanediol 2-Ethylhexanoate Octanoate
• Synonyms: Caprylic Acid; 2,2-Dimethylolpropane-1,3-Diol; 2-Ethylhexanoic Acid; Pelargonic Acid; Pentaerythritol, 2-Ethylhexanoic Acid,Caprylic Acid, Capric Acid Mixed Ester
• Molecular Formula: C₃₀H₆₂O₁₀
• Molecular Weight: 582.81
• CAS Registry Number: 68130-25-6
• EINECS: 268-582-0
• SMILES: C(O)C(CO)(CO)CO.C(C(C(=O)O)CC)CCC.C(C(=O)O)CCCCCCC.C(C(=O)O)CCCCCC
• InChI: 1S/C9H18O2.2C8H16O2.C5H12O4/c1-2-3-4-5-6-7-8-9(10)11;1-3-5-6-7(4-2)8(9)10;1-2-3-4-5-6-7-8(9)10;6-1-5(2-7,3-8)4-9/h2-8H2,1H3,(H,10,11);7H,3-6H2,1-2H3,(H,9,10);2-7H2,1H3,(H,9,10);6-9H,1-4H2
• InChIKey: ZEOWPIKNYCFOEQ-UHFFFAOYSA-N

Properties

• Boiling point: 254.9°C at 760 mmHg (Cal.)
• Flash point: 114.9°C (Cal.)