Tributyrin Glycerol Tributyrate

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:60-01-5

MDL number:MFCD00009392

EINECS number:200-451-5

RTECS number:ET7350000

BRN number:1714746

PubChem number:24900545

Physical property data

1. Properties: Colorless oily liquid. Has a bitter taste.

2. Density (g/mL, 25/4℃): 1.032

3. Relative density (20℃, 4℃): 1.0350

4 . Melting point (ºC): -75

5. Boiling point (ºC, normal pressure): 307.5

6. Refractive index at room temperature (n²⁰): 1.4359

7. Refractive index: 1.4358

8. Flash point (ºC): 173

9. Specific rotation (º): Undetermined

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10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V /V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Easily soluble in ethanol, ether and acetone, insoluble in water.

Toxicological data

1. Acute toxicity: rat oral LD50: 3200mg/kg; rat inhalation LC: >75ppm/6H; mouse oral LD50: 12800mg/kg; mouse intravenous LD50: 320mg/kg2. Carcinogenicity: rat inhalation Oral TDLo: 177mg/kg/3W-C

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 76.82

2. Molar volume (cm³/mol): 286.9

3. Isotonic specific volume (90.2K): 700.5

4. Surface tension (dyne/cm): 35.5

5. Polarizability (10^-24cm³): 30.45

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.4

2. Number of hydrogen bond donors: 0

3. HydrogenNumber of bond acceptors: 6

4. Number of rotatable chemical bonds: 14

5. Number of tautomers:

6. Topological molecular polarity Surface area (TPSA): 78.9

7, Number of heavy atoms: 21

8, Surface charge: 0

9, Complexity: 304

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. The number of determined stereocenters of chemical bonds: 0

14. The number of uncertain stereocenters of chemical bonds: 0

15. The number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be sealed and stored in a cool place.

Synthesis method

It is produced by the esterification reaction of butyric acid and glycerol under the catalysis of sulfuric acid.

Purpose

Measurement of lipase (Esterase) and lipase (Lipase) substrates. Plasticizer. spices.