4,4′-thiobis(6-tert-butyl-o-phenol)

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:96-66-2

mdl number:mfcd00008823

einecs number:202-522-6

rtecs number:gp3200000

brn number:none

pubchem id:none

physical property data

1. characteristics: undetermined

2. density (g/ml, 20℃): undetermined

3. relative vapor density (g/ml, air=1 ): undetermined

4. melting point (ºc): 127

5. boiling point (ºc, normal pressure): undetermined

6. boiling point (ºc , kpa): not determined

7. refractive index: not determined

8. flash point (ºc): 241

9. specific rotation (º ): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (mmhg, 20.2ºc): undetermined

12. saturated vapor pressure (kpa, ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined determined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined

17 . explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/v): undetermined

19. solubility: undetermined

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toxicological data

acute toxicity: rat oral ld50: 6340mg/kg; mouse oral ld50: 3mg/kg; mammal oral ld50: 6340mg/kg;

ecological data

none

molecular structure data

1. molar refractive index: 108.82

2. molar volume (cm³/mol): 320.3

3. isotonic specific volume (90.2k): 846.3

4. surface tension (dyne/cm): 48.7

5. polarizability (10-24cm3): 43.14

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 7.4

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 4

5. number of tautomers: 5

6. topological molecule polar surface area 65.8

7. number of heavy atoms: 25

8. surface charge: 0

9. complexity: 396

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

none

storage method

none

synthesis method

none

purpose

none

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