chempirical

Tributyrin

C15H26O6CAS 60-01-5302.37 g/mol

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Ester

Properties

Molecular formula
C15H26O6
Molar mass
302.37 g/mol
Exact mass
302.1729 Da
Density
1.035 g/mL (at 20 °C)
Melting point
−75 °C
Boiling point
305–310 °C
logP
2.38Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
11

Identifiers

CAS number
60-01-5
SMILES
CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC
InChIKey
UYXTWWCETRIEDR-UHFFFAOYSA-N
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

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Names and synonyms

18 names · show all
  • Butanoic acid, 1,2,3-propanetriyl ester
  • Butyrin, tri-
  • Butyrin
  • Butyryl triglyceride
  • Glycerol tributyrate
  • Glyceryl tributyrate
  • Tributyroin
  • Tri-n-butyrin
  • Glycerol tributanoate
  • Tributin
  • Tributyryl glyceride
  • Glycerin tributyrate
  • Glyceroltributyrin
  • Tributyrylglycerol
  • Glyceryl tributanoate
  • NSC 661583
  • Tributanoin
  • 2,3-Di(butanoyloxy)propyl butanoate

Work with Tributyrin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Axona538-23-873 % similar Trilaurin538-24-973 % similar Stearin555-43-173 % similar Tripalmitin555-44-273 % similar Tricaprin621-71-673 % similar (R)-Glycidyl butyrate60456-26-071 % similar (+)-Glycidyl butyrate65031-96-171 % similar Cyclohexyl butyrate1551-44-663 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

tert-Butyl 2-[(4R,6S)-2,2-dimethyl-6-[(methylcarbonyloxy)methyl]-1,3-dioxan-4-yl]acetate154026-95-6

Elsewhere

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