Triisopropanolamine Triisopropanolamine

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:122-20-3

MDL number:MFCD00004533

EINECS number:204-528-4

RTECS number:UB8750000

BRN number:1071570

PubChem number:24855404

Physical property data

1. Properties: white crystal or solid powder.

2. Density (g/mL, 50/20ºC): 0.9996

3. Density (g/mL, 60/20ºC): 0.9909

4 . Melting point (ºC): 46

5. Boiling point (ºC): 305.4

6. Viscosity (mPa·s, 60ºC): 138

7. Flash point (ºC, open): 151.7

8. Vapor pressure (kPa, 20ºC): 1.33

9. Solubility: soluble in water, ethanol, ether, etc.

Toxicological data

1. Acute toxicity: Rat oral LD50: 6500mg/kg; mouse oral LD50: 2520mg/kg;

Rabbit oral LD50: 11000mg/kg; Rabbit skin LDLO: 10mL/ KG;

Guinea pigs LD50: 1580mg/Kg; unknown mammalian skin TCLO:> 1gm/kg.

2. Other multiple dose toxicity: oral TDLO in rats: 28gm/kg/2W-C

Ecological data

None

Molecular structure data

1. Molar refractive index: 51.94

2. Molar volume (cm³/mol): 177.9

3. Isotonic specific volume (90.2K): 458.2

4. Surface tension (dyne/cm): 43.9

5. Dielectric constant:

6. Dipole moment (10 ^-24cm³):

7. Polarizability: 20.59

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.5

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 63.9

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 108

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 3

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Chemical properties are similar to triethanolamine. Isopropyl alcohol is formed during reduction with Raney nickel.

Storage method

None

Synthesis method

Produced by the reaction of propylene oxide and ammonia, it is a co-product of the production of isopropanolamine.

Purpose

Used as pharmaceutical raw materials and photographic developer solvents. Used as a solvent for paraffin oil in the man-made fiber industry. Since the salts formed by triisopropanolamine and long-chain fatty acids have good coloring stability, they are particularly suitable as emulsifiers for cosmetics.