Structural formula
Business number | 01AW |
---|---|
Molecular formula | C15H26O6 |
Molecular weight | 302.36 |
label |
Tributyrin, (CH3CH2CH2COOCH2)2CHOCOCH2CH2CH3, 1,2,3-Tributyrylglycerol, Tributyrin |
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.