TRILAURIN

The Dodecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester, with the CAS registry number 538-24-9, is also known as Propane-1,2,3-triyl tridodecanoate. Its EINECS registry number is 208-687-0. This chemical's molecular formula is C₃₉H₇₄O₆ and molecular weight is 639. What's more, its IUPAC name is called 2,3-Di(dodecanoyloxy)propyl dodecanoate. It is white powder.

Physical properties about Dodecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester are: (1) ACD/LogP: 15.70; (2) # of Rule of 5 Violations: 2; (3) ACD/LogD (pH 5.5): 15.7; (4) ACD/LogD (pH 7.4): 15.7; (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: 38; (12) Polar Surface Area: 78.9 Å²; (13) Index of Refraction: 1.462; (14) Molar Refractivity: 188.01 cm³; (15) Molar Volume: 683.1 cm³; (16) Surface Tension: 34.4 dyne/cm; (17) Density: 0.935 g/cm³; (18) Flash Point: 253.5 °C; (19) Enthalpy of Vaporization: 94.93 kJ/mol; (20) Boiling Point: 643.3 °C at 760 mmHg; (21) Vapour Pressure: 1.92E-16 mmHg at 25 °C; (22) Melting Point: 46.5 °C.

Preparation of Dodecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester: this chemical can be prepared by Propane-1,2,3-triol and Dodecanoic acid. This reaction needs reagents Ph₃P, Bromine, NaHCO₃ and solvent CH₂Cl₂. The reaction time is 30 minutes. The yield is 65 %.

Uses of Dodecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester: (1) it is used in biochemical research; (2) it is used to produce other chemicals. For example, it is used to produce N,N-Bis-(2-hydroxy-ethyl)-lauramide. The reaction occurs with reagent Candida antarctica lipase and solvent Acetonitrile at temperature of 50 °C for 24 hours. The yield is 31.1 %.

 

When you are dealing with this chemical, you should be very careful. The gas of this chemical can not be breathed. In addition, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC(OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC)CCCCCCCCCCC
(2) InChI: InChI=1/C39H74O6/c1-4-7-10-13-16-19-22-25-28-31-37(40)43-34-36(45-39(42)33-30-27-24-21-18-15-12-9-6-3)35-44-38(41)32-29-26-23-20-17-14-11-8-5-2/h36H,4-35H2,1-3H3
(3) InChIKey: VMPHSYLJUKZBJJ-UHFFFAOYAI