2,6-Dimethoxyphenol
Structural formula
| Business number | 0234 |
|---|---|
| Molecular formula | C8H10O3 |
| Molecular weight | 154.16 |
| label |
Pyrogallol-1,3-dimethyl ether, Pyrogallol-1,3-dimethyl ether, Pyrogallol 1,3-dimethyl ether |
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.
