Trihexanoin

• Catalog Number: ACM621705
• Product Name: Trihexanoin
• CAS: 621-70-5
• Category: Heterocyclic Organic Compound
• Synonyms: 1,2,3-Tricaproylglycerol
• IUPAC Name: 2,3-Di(hexanoyloxy)propyl hexanoate
• Molecular Weight: 386.52
• Molecular Formula: C21H38O6
• Canonical SMILES: CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC
• InChI: InChI=1S/C21H38O6/c1-4-7-10-13-19(22)25-16-18(27-21(24)15-12-9-6-3)17-26-20(23)14-11-8-5-2/h18H,4-17H2,1-3H3
• InChI Key: MAYCICSNZYXLHB-UHFFFAOYSA-N
• Boiling Point: 244 °C/28 mmHg
• Melting Point: -60 °C
• Flash Point: 180.2 °C
• Density: 0.98 g/mL(lit.)
• Appearance: Liquid
• Storage: -20 °C
• Complexity: 382
• Exact Mass: 386.26683893
• Monoisotopic Mass: 386.26683893
• Refractive Index: n20/D 1.442
• Safety Description: 23-24/25
• Supplemental Hazard Statements: H302+H312+H332
• Symbol: GHS07
• Topological Polar Surface Area: 78.9 Ų