Bee balm

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:506-50-3

MDL number:MFCD00002813

EINECS number:208-042-3

RTECS number:None

BRN number:1803689

PubChem number:24900051

Physical property data

1. Character: needle crystal

2. Density (g/ cm³, 25/4℃): 0.873

3. Relative Vapor density (g/cm³, air=1): Undetermined

4. Melting point (ºC): 92-94

5. Boiling point ( ºC, normal pressure): 299

6. Boiling point (ºC, 8kPa): 441.4

7. Refractive index: Undetermined

8. Flash point ( ºC): 196.9

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Not determined

12. Saturation vapor pressure (kPa, 60ºC): Not determined

13. Heat of combustion (KJ/mol): Not determined Determined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/water ) Log value of distribution coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined Confirm

19. Solubility: Insoluble in water. Easily soluble in hot ethanol. Slightly soluble in ether. Soluble in ethanol and acetone, easily soluble in benzene, carbon disulfide or chloroform.

Toxicological data

None yet

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 142.59

2. Molar volume (cm³/mol): 518.3

3. Isotonic specific volume (90.2K ): 1247.4

4. Surface tension (dyne/cm): 33.5

5. Polarizability (10^-24cm³): 56.53

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 13.9

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 28

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA):37.3

7. Number of heavy atoms: 32

8. Surface charge: 0

9. Complexity: 353

10 , The number of isotope atoms: 0

11, The number of determined atomic stereocenters: 0

12, The number of uncertain atomic stereocenters: 0

13, Determined number of chemical bond stereocenters: 0

14, Uncertain number of chemical bond stereocenters: 0

15, Number of covalent bond units: 1

Properties and stability

1. Use and store according to specifications. It will not decompose and avoid contact with oxides.

2. Found in flue-cured tobacco leaves.

Storage method

Should be sealed and stored at 4℃.

Synthesis method

1. Found in a variety of plant waxes (such as candelilla wax). Can react with alkali. Esterification and ammonia (amine) reactions can also occur. Prepared by oxidation of triacontanol. In addition, a small amount of triacontanic acid exists in the waxes of some plants and insects and in montan wax, which can be extracted using appropriate techniques.

2. Tobacco: FC, 15, 41.

3. Obtain phosphorus or needle crystals from ethanol or acetone.

Purpose

Used for biochemical research and special organic synthesis.