2-hydroxy-3-methoxybenzaldehyde
structural formula
| business number | 03xg |
|---|---|
| molecular formula | c8h8o3 |
| molecular weight | 152.15 |
| label |
o-vanillin, o-vanillin, o-vanillin, 2-hydroxy-m-anisaldehyde, artificial flavors |
numbering system
cas number:148-53-8
mdl number:mfcd00003322
einecs number:205-715-3
rtecs number:cu6530000
brn number:471913
pubchem number:24890053
physical property data
1. melting point (℃): 40~42
2. boiling point (℃): 265.5~266
3. flash point (℃): 113
4. relative density (d204) : 1.056
5. properties: white needle-shaped crystals with the special aroma of vanilla beans .
6. solubility: slightly soluble in cold water, soluble in hot water, ethanol, and ether.
toxicological data
2. toxicology data:
1. acute toxicity: rat intraperitoneal ld50: 347 mg/kg;
mouse oral ld50: 1330 mg/kg;
mouse abdominal ld50: 400 mg/kg
ecological data
3. ecological data:
other harmful effects: this substance may be harmful to the environment, and special attention should be paid to water bodies.
molecular structure data
5. molecular property data:
1. molar refractive index: 41.56
2. molar volume (cm3/mol): 123.5
3. isotonic specific volume (90.2k): 324.0
4. surface tension (dyne/cm): 47.3
5. polarizability (10-24cm3): 16.47
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: 3
4. number of rotatable chemical bonds: 2
5. number of tautomers: 5
6. topological molecule polar surface area 46.5
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 135
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. exists in flue-cured tobacco leaves, burley tobacco leaves, and mainstream smoke.
2. found in tonka bean, benzoin gum, peru balsam, tolu balsam, etc.
storage method
store sealed in a dry and cool place.
synthesis method
1. tobacco: bu, 56; fc, 9, 18; bu, 9., 18; synthesis: obtained from isoeugenol through oxidation, and can also be prepared from safrole, lignin, guaiacol, etc. made from raw materials.
purpose
1. used as a pharmaceutical intermediate and an important starting material for the synthesis of a variety of raw materials and spices.
2. used in pharmaceutical and electroplating industries.
3. used as a fixative, coordinating agent and tone-changing agent, and is widely used in cosmetic flavors. it is also an important flavor enhancer for beverages and foods.