2-tert-butyl-4-ethylphenol 2-tert-butyl-4-ethylphenol

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:96-70-8

mdl number:mfcd00069413

einecs number:202-526-8

rtecs number:ty3605000

brn number:none

pubchem id:none

physical property data

1. properties: undetermined

2. density (g/ml, 20℃): 0.939

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

4. melting point (ºc): 41-44

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

6. boiling point ( ºc, 50mmhg): 178

7. refractive index: not determined

8. flash point (ºc): not determined

9. specific rotation ( º): not determined

10. autoignition point or ignition temperature (ºc): not determined

11. vapor pressure (mmhg, 20.2ºc): not determined

12. saturated vapor pressure (kpa, ºc): 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. explosion lower limit (%, v/v): undetermined

19. solubility: undetermined

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 56.07

2. molar volume (cm³/mol): 187.3

3. isotonic specific volume (90.2k ): 446.9

4. surface tension (dyne/cm): 32.3

5. polarizability (10-24cm3): 22.22

compute chemical data

1. hydrophobic parameter calculation reference value (xlogp): 4

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 2

5. number of tautomers: 3

6. topological molecular polar surface area (tpsa): 20.2

p>

7. number of heavy atoms: 13

8. surface charge: 0

9. complexity: 157

10. number of isotope atoms : 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the chemical bond configuration number of centers: 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