Butanoic acid,1,2,3-propanetriyl ester

The Tributyrin, with the CAS registry number 60-01-5, is also known as Butyrin, tri-. It belongs to the product categories of Functional Materials; Plasticizer; Polyalcohol Ethers, Esters (Plasticizer). Its EINECS registry number is 200-451-5. This chemical's molecular formula is C₁₅H₂₆O₆ and molecular weight is 302.36. Its IUPAC name is called 2,3-di(butanoyloxy)propyl butanoate. When you are using this chemical, please be cautious about it. You must avoid contact with skin and eyes. Tributyrin is also used in microbiological laboratories to identify the bacterium Moraxella catarrhalis. Tributyrin is a stable and rapidly absorbed prodrug of butyric acid which enhances antiproliferative effects of dihydroxycholecalciferol in human colon cancer cells.

Physical properties of Tributyrin: (1)ACD/LogP: 3.27; (2)ACD/LogD (pH 5.5): 3.273; (3)ACD/LogD (pH 7.4): 3.273; (4)ACD/BCF (pH 5.5): 180.955; (5)ACD/BCF (pH 7.4): 180.955; (6)ACD/KOC (pH 5.5): 1437.395; (7)ACD/KOC (pH 7.4): 1437.395; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 14; (10)Index of Refraction: 1.448; (11)Molar Refractivity: 76.825 cm³; (12)Molar Volume: 286.96 cm³; (13)Surface Tension: 35.51 dyne/cm; (14)Density: 1.054 g/cm³; (15)Flash Point: 143.415 °C; (16)Enthalpy of Vaporization: 54.81 kJ/mol; (17)Boiling Point: 307.499 °C at 760 mmHg; (18)Vapour Pressure: 0.001 mmHg at 25°C.

Preparation of Tributyrin: this chemical can be prepared by butyric acid and propane-1,2,3-triol. This reaction will need reagent aluminium sulfate.

Uses of Tributyrin: it can be used to produce (R)-2-octyl butyrate at ambient temperature. This reaction will need reagent 0.1 M phosphate buffer with reaction time of 140 hours. The yield is about 82%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC
(2)InChI: InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3
(3)InChIKey: UYXTWWCETRIEDR-UHFFFAOYSA-N

The toxicity data is as follows: