1,2-Dioctanoin

Catalog NumberBL-M001432
CAS Number1069-87-0
Structure
IUPAC Name(3-hydroxy-2-octanoyloxypropyl) octanoate
SynonymsOctanoic acid, 1,1'-[1-(hydroxymethyl)-1,2-ethanediyl] ester; Octanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester; Octanoin, 1,2-di-; 1,2-Dioctanoylglycerol; Glycerol 1,2-dicaprylate
Molecular Weight344.49
Molecular FormulaC19H36O5
Boiling Point429.121±12.00 °C at 760 mmHg
Purity99%
Density0.9766 g/cm3
Canonical SMILESO=C(OCC(OC(=O)CCCCCCC)CO)CCCCCCC
InChIInChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3
InChI KeyZQBULZYTDGUSSK-UHFFFAOYSA-N

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