triethylene glycol monobutyl ether

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:143-22-6

mdl number:mfcd00020606

einecs number:205-592-6

rtecs number:kj9450000

brn number:1750600

pubchem number:24889366

physical property data

1. physical property data

1. characteristics: liquid

2. density (g/ml,20℃): 1.0021

3. melting point (ºc): -47.4 ºc

4. refractive index: 1.441

6. solubility:easily soluble in water.

5. flashpoint (ºc): 140ºc

toxicological data

2. toxicological data:

1, acute toxicity: rat oral ld50: 5300 mg/kg;

rabbit transdermal ld50: 3540 ul/kg.

ecological data

3. ecological data:

other harmful effect: this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

5. molecular property data:

1. molar refractive index:55.14

2. molar volume (m³/ mol):210.1

3. isotonic specific volume (90.2k): 505.7

4. surface tension (dyne/cm): 33.5

3. ecological data:

other harmful effect: this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

5. molecular property data:

1. molar refractive index:55.14

2. molar volume (m³/ mol):210.1

3. isotonic specific volume (90.2k): 505.7

4. surface tension (dyne/cm): 33.5

5. polarizability（10^-24cm³):21.86

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 11

5. number of tautomers: none

6. topological molecule polar surface area 47.9

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 98.1

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

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

stable under normal temperature and pressure. span>

incompatible materials:strong oxidizing agent

storage method

stored sealed in a dry and cool place.

synthesis method

none

purpose

none

p-alt: auto; mso-margin-bottom-alt: auto; tab-stops: list 36.0pt 72.75pt” align=left>5. polarizability（10^-24cm³):21.86

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 11

5. number of tautomers: none

6. topological molecule polar surface area 47.9

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 98.1

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

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

stable under normal temperature and pressure. span>

incompatible materials:strong oxidizing agent

storage method

stored sealed in a dry and cool place.

synthesis method

none

purpose

none