2,4,4-trimethyl-2-pentanol

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:690-37-9

mdl number:mfcd00101611

einecs number:none

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. properties: colorless and transparent liquid.

2. density (g/ml, 25/4℃): 0.819

3. relative density (20℃, 4℃): 0.823

4 . melting point (ºc): undetermined

5. boiling point (ºc, normal pressure): 164.4

6. refractive index at room temperature (n²⁵): 1.426

7. refractive index at room temperature (n²⁰): 1.428

8. flash point (ºc): undetermined

9. specific rotation (º): not determined

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

11. vapor pressure (kpa, 25ºc): not determined determined

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

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

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

19. dissolution sex: undetermined.

toxicological data

none

ecological data

generally not hazardous to water, do not discharge material into the surrounding environment without government permission.

molecular structure data

1. molar refractive index: 40.57

2. molar volume (cm³/mol): 158.1

3. isotonic specific volume (90.2k ): 357.3

4. surface tension (dyne/cm): 26.0

5. dielectric constant:

6. dipole moment (10^-24cm³):

7. polarizability: 16.08

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.2

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: none

6. topological molecule polar surface area 20.2

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 87.2

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters�:0

12. uncertain number of stereocenters of atoms: 0

13. determined number of stereocenters of chemical bonds: 0

14. uncertain chemical bonds number of stereocenters: 0

15. number of covalent bond units: 1

properties and stability

keep away from oxides.

storage method

store in an airtight container in a cool, dry place. store away from oxidizing agents. avoid sources of fire.

synthesis method

none

purpose

none