2-(1,1,3,3-tetramethylbutyl)hydroquinone

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:719-03-9

mdl number:none

einecs number:211-945-5

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. character: undetermined

2. density (g/ml,25/4℃): undetermined

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

4. melting point (ºc): undetermined

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

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: undetermined

8. flash point ( ºc): undetermined

9. specific optical rotation (º): undetermined

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

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

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

19. solubility: undetermined

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 66.90

2. molar volume（m³/ mol）：219.0

3. isotonic specific volume（90.2k）：539.5

4. surface tension(dyne/cm)：36.8

5. dielectric constant:

6. dipole moment（10 ^-24cm³)：

7. polarizability: 26.52

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 4.6

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 3

5. mututationnumber of structures: 7

6. topological molecule polar surface area 40.5

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 227

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. the number of uncertain atomic stereocenters: 0

13. the number of determined chemical bond stereocenters: 0

14. the uncertain number of chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

none

synthesis method

none

purpose

none

resource:allhdi.com