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

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Plastic Additives

Tributyrin

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Catalog Number

ACM60015-2

Product Name

Tributyrin

Structure

CAS

60-01-5

Category

Plastic Additives

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

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