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Substance Name: Tributyrin
RN: 60-01-5
UNII: S05LZ624MF
InChIKey: UYXTWWCETRIEDR-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C15-H26-O6

Molecular Weight

  • 302.3644
 
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Names and Synonyms

Name of Substance

  • Tributyrin

Synonyms

  • 1,2,3-Propanetriyl tributanoate
  • 4-02-00-00799 (Beilstein Handbook Reference)
  • AI3-01776
  • BRN 1714746
  • Butanoic acid, 1,2,3-propanetriyl ester
  • Butyric acid triester with glycerin
  • Butyrin
  • Butyrin, tri-
  • Butyryl triglyceride
  • EINECS 200-451-5
  • FEMA No. 2223
  • Glycerin tributyrate
  • Glycerol tributanoate
  • Glycerol tributyrate
  • Glyceroltributyrin
  • Glyceryl tributyrate
  • HSDB 878
  • Kodaflex tripropionin
  • NSC 661583
  • Tri-n-butyrin
  • Tributin
  • Tributyrin
  • Tributyrinine
  • Tributyrl glyceride
  • Tributyroin
  • Tributyryl glyceride
  • UNII-S05LZ624MF

Systematic Names

  • Butanoic acid, 1,2,3-propanetriyl ester
  • Butyrin, tri-
  • Glycerol tributyrate

Superlist Names

  • Butyrin
  • Glyceryl tributyrate
  • Tributyrin

Registry Numbers

CAS Registry Number

  • 60-01-5

FDA UNII

  • S05LZ624MF

System Generated Number

  • 0000060015

Structure Descriptors

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

InChIKey

UYXTWWCETRIEDR-UHFFFAOYSA-N

Smiles

C(COC(CCC)=O)(COC(CCC)=O)OC(CCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 320mg/kg (320mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Acta Physiologica Scandinavica. Vol. 40, Pg. 338, 1957.
mouse LD50 oral 12800mg/kg (12800mg/kg)   Kodak Company Reports. Vol. 21MAY1971,
rat LC inhalation > 75ppm/6H (75ppm)   Kodak Company Reports. Vol. 21MAY1971,
rat LD50 oral 3200mg/kg (3200mg/kg)   Kodak Company Reports. Vol. 21MAY1971,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.50E+01 deg C   EXP
Boiling Point 307.5 deg C   EXP
log P (octanol-water) 3.310 (none)   EST
Water Solubility 133 mg/L 37 EXP
Vapor Pressure 3.82E-04 mm Hg 25 EST
Henry's Law Constant 9.59E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.34E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.