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.