60-01-5
Product Name:
Tributyrin
Formula:
C15H26O6
Synonyms:
1,2,3-Tributyrylglycerol;Glycerol tributyrate;Glyceryl tributyrate;Tributyrin
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | COLORLESS |
| Odor | FRUITY, BUTTERY |
| Taste | Bitter taste |
| Boiling Point | 307 °C |
| Melting Point | -75 °C |
| Flash Point | 356 °F; 180 °C (Open cup) |
| Solubility | SOL IN ACETONE, BENZENE |
| Density | 1.032 at 20 °C |
| Vapor Pressure | 1.3X10-3 mm Hg at 25 °C /Estimated/ |
| LogP | log Kow = 2.54 |
| Henry's Law Constant | Henry's Law constant = 9.6X10-9 atm cu m/mole at 25 °C /Estimated/ |
| Autoignition Temperature | 765 °F (407 °C) |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| Ionization Efficiency | Positive |
| Refractive Index | Index of refraction = 1.4309 at 20 °C |
| Kovats Retention Index | 1812 1813 1815 1816 |
| Other Experimental Properties | Conversion factor: 12.34 mg/cu m= 1 ppm |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. |
COMPUTED DESCRIPTORS
| Molecular Weight | 302.36 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 14 |
| Exact Mass | 302.17293854 g/mol |
| Monoisotopic Mass | 302.17293854 g/mol |
| Topological Polar Surface Area | 78.9 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 304 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Tributyrin is a triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by butyric acid. It has a role as an EC 3.5.1.98 (histone deacetylase) inhibitor, a protective agent, an apoptosis inducer, a prodrug and an antineoplastic agent. It is a triglyceride and a butyrate ester. It is functionally related to a butyric acid.