2-methoxy-4-methylphenol 4 – methoxy -2 – methyl phenol
Structural formula
| Business number | 026C |
|---|---|
| Molecular formula | C8H10O2 |
| Molecular weight | 138.16 |
| label |
4-Methylguaiacol, High Guaiacol, 4-Methyl-2-methoxyphenol, 4-methylguaiacol, p-Creosol, Honmoguaiacol, natural flavors |
Numbering system
CAS number:93-51-6
MDL number:MFCD00002378
EINECS number:202-252-9
RTECS number:GP1755000
BRN number:1862340
PubChem number:24858279
Physical property data
1. Properties: colorless to slightly yellow aromatic liquid with strong refractive properties.
2. Density (g/mL, 25/4℃): 1.092
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 5.5
5. Boiling point (ºC, normal pressure): 221~222
6. Boiling point (ºC) (769 mmHg) 220℃ (101.325kPa)
7. Refractive index (n25D): 1.5353
8. Flash point (ºC): 99
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
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
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Compatible with ethanol It is miscible with benzene, chloroform, ether, glacial acetic acid, etc., and is slightly soluble in water.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 39.63
2. Molar volume (cm3/mol): 128.1
3. Isotonic specific volume (90.2K ): 316.6
4. Surface tension (dyne/cm): 37.2
5. Polarizability (10-24cm3): 15.71
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 3
6. Topological molecule polar surface area 29.5
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 103
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 Number: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Colorless to light yellow liquid with a slightly sweet aroma of vanilla beans and a spicy aroma.
2. Exist in tobacco leaves and smoke.
3. Naturally found in cocoa, beer, and coffee.
Storage method
This product should be stored in a sealed, ventilated and cool place away from light.
Synthesis method
1. It can be naturally obtained from birch bark tar, creosote, creosote, etc., treated with alkali, extracted, and fractionated.
2. Tobacco: OR, 26.
Purpose
1. It can be used to prepare daily chemicals and food flavors, and can also be used as pharmaceutical intermediates and synthetic flavors.
2. Used for: meat products, frozen dairy products, pudding.
