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Tributyrin

Catalog Number
ACM60015-2
CAS Number
60-01-5
Product Name
Tributyrin
Structure
Category
Plastic Additives; Plasticizers
Synonyms
Glycery tributyrate
Description
Liquid;Liquid;colourless oily liquid
IUPAC Name
2,3-Di(butanoyloxy)propyl butanoate
Molecular Weight
302.36
Molecular Formula
C15H26O6
Canonical SMILES
CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC
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
InChI Key
UYXTWWCETRIEDR-UHFFFAOYSA-N
Boiling Point
305 °C
Melting Point
-75 °C
Flash Point
345 °F
Purity
97%
Density
1.0335 g/cm³
Solubility
Insoluble in water, soluble in organic solvents, oils
Appearance
Clear colorless to yellow liquid
Storage
Room temperature
Color/Form
COLORLESS;Oily liquid
Complexity
304
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
EC Number
200-451-5
Exact Mass
302.17293854
Formal Charge
0
Heavy Atom Count
21
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Log P
log Kow = 2.54
MeSH Entry Terms
glyceryl tributyrate;tributyrin;tributyrylglycerol
Monoisotopic Mass
302.17293854
NSC Number
661583
Odor
FRUITY, BUTTERY
Other Experimental
Conversion factor: 12.34 mg/cu m= 1 ppm;Henry's Law constant = 9.6X10-9 atm cu m/mole at 25 °C /Estimated/;Hydroxyl radical reaction rate constant = 1.3X10-11cu cm/molec-sec at 25 °C /Estimated/
Refractive Index
n20/D 1.435(lit.)
Rotatable Bond Count
14
Topological Polar Surface Area
78.9 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
UNII
S05LZ624MF
Vapor Pressure
1.3X10-3 mm Hg at 25 °C /Estimated/
XLogP3
2.4
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