2,6-dimethylmercaptophenol

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:118-72-9

mdl number:mfcd00010021

einecs number:204-272-3

rtecs number:none

brn number:none

pubchem number:24858548

physical property data

1. characteristics: colorless to yellow liquid.

2. density (g/ml,25℃): 1.038

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

4. melting point (ºc): undetermined

5. boiling point (ºc,normal pressure):72

6. boiling point (ºc,kpa): undetermined

7. refractive index:1.575

8. flashpoint (ºc): 85

9. specific rotation (º): undetermined

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

11. vapor pressure (mmhg,25ºc): undetermined

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

<p class=msonormal style="margin: 0cm 0cm 0pt 36pt; text-indent: -18pt; text-align: left; mso-list: l0 level1 lfo1; tab-stops: list 36.0pt; mso-paer volume (m³/mol):134.5

3、 isotonic specific volume (90.2k) ：331.0

4, surface tension (dyne/cm):36.6

5、 polarizability (10^-24cm³):17.47

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.8

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 0

5. number of tautomers: 2

6. topological molecule polar surface area 1

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 80.6

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

avoid contact with oxides.

storage method

save sealed in a cool, dry place. make sure the workspace has good ventilation. store away from oxidizing agents.

synthesis method

none yet

purpose

none yet

d=”js”>compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.8

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 0

5. number of tautomers: 2

6. topological molecule polar surface area 1

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 80.6

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

avoid contact with oxides.

storage method

save sealed in a cool, dry place. make sure the workspace has good ventilation. store away from oxidizing agents.

synthesis method

none yet

purpose

none yet