2,6-dimethoxyphenol

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:91-10-1

mdl number:mfcd00064434

einecs number:202-041-1

rtecs number:sl0900000

brn number:1526871

pubchem number:24864183

physical property data

1. properties: white or colorless crystals with woody medicinal smell.

2. density (g/ml, 25/4℃): undetermined

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

4. melting point (ºc): 52~56

5. boiling point (ºc, normal pressure): 261

6. boiling point (ºc, 5.2kpa): not available determined

7. refractive index: undetermined

8. flash point (ºc): 140

9. specific rotation (º): [α] d20 +153.9° (c=10, water)

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 properties: easily soluble in ether, soluble in ethanol, alkali solution, slightly soluble in water.

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 41.49

2. molar volume (cm³/mol): 135.8

3. isotonic specific volume (90.2k ): 335.6

4. surface tension (dyne/cm): 37.2

5. polarizability (10^-24cm³): 16.44

compute chemical data

1. hydrophobic parameter calculation reference value (xlogp): 1.1

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 2

5. number of tautomers: 2

6. topological molecular polar surface area (tpsa): 38.7

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7. heavynumber of atoms: 11

8, surface charge: 0

9, complexity: 104

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

1. found in oriental tobacco leaves.

storage method

this product should be kept sealed.

synthesis method

1. tobacco: or, 26; prepared by reacting pyrogallol with methyl iodide in an alkali aqueous solution medium, or by demethylating pyrogallol in an alkali aqueous solution or ethanol.

purpose

used in organic synthesis. ​