TRIPALMITIN

The Hexadecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester, with the CAS registry number 555-44-2, is also known as Tripalmitin. Its EINECS number is 209-098-1. It belongs to the product categories of Fatty Acid Derivatives & Lipids; Glycerols. This chemical's molecular formula is C₅₁H₉₈O₆ and molecular weight is 807.32. What's more, its systematic name is Propane-1,2,3-triyl trihexadecanoate. Its classification code is Drug / Therapeutic Agent. It is stable at common pressure and temperature. The product should be stored in cool, ventilated and dry places at the temperature of -20 °C. It should be protected from oxidizers. 

Physical properties of Hexadecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester are: (1)ACD/LogP: 22.08; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 22.08; (4)ACD/LogD (pH 7.4): 22.08; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 50; (12)Polar Surface Area: 78.9 Å²; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 243.6 cm³; (15)Molar Volume: 881.2 cm³; (16)Polarizability: 96.57×10^-24 cm³; (17)Surface Tension: 34.3 dyne/cm; (18)Density: 0.916 g/cm³; (19)Flash Point: 286.1 °C; (20)Enthalpy of Vaporization: 110.68 kJ/mol; (21)Boiling Point: 759.8 °C at 760 mmHg; (22)Vapour Pressure: 5.52E-23 mmHg at 25°C.

Preparation: this chemical can be prepared by hexadecanoic acid; propane-1,2,3-triol at the temperature of 50 °C. This reaction will need reagent 0.2 M phosphate buffer (pH=7.0) and solvent H₂O with the reaction time of 18 hours. This reaction will also need catalyst lipase from Humicola lanuginosa No.3. The yield is about 45%.

Uses of Hexadecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester: it can be used to produce N-(2-hydroxy-ethyl)-palmitamide at the temperature of 50-60 °C. It will need reagent 2-amino-ethanol with the reaction time of 8 hours. The yield is about 95.4%.

When you are using this chemical, please be cautious about it as the following:
It is Harmful if you inhalate or swallow it. Besides, you should avoid it contacting with your skin and eyes and not breathe dust.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
(2)InChI: InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
(3)InChIKey: PVNIQBQSYATKKL-UHFFFAOYSA-N

The toxicity data is as follows: