CAS 60-01-5 Tributyrin - Materials / Alfa Chemistry

NAVIGATION

Tributyrin

PRICE INQUIRY

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

Application

Tributyrin serves as a versatile flavoring agent used in various food products. It is the triester of glycerin and butyric acid, created through the esterification of glycerin with excess butyric acid. This colorless, oily liquid with a characteristic odor and bitter taste is commonly found in baked goods, alcoholic and nonalcoholic beverages, fats and oils, frozen dairy desserts and mixes, gelatins, puddings, fillings, and soft candy. Despite its relatively low solubility in water, tributyrin is soluble in alcohol and ether, making it applicable in diverse culinary contexts.

Storage

Room temperature

Color/Form

COLORLESS;Oily liquid

Complexity

304

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

EC Number

200-451-5

Exact Mass

302.17293854

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

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

Topological Polar Surface Area

78.9 Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

UNII

S05LZ624MF

Vapor Pressure

1.3X10-3 mm Hg at 25 °C /Estimated/

XLogP3