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. ​