2-hydroxy-3-methoxybenzaldehyde

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: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.