Bee balm
Structural formula
| Business number | 059F |
|---|---|
| Molecular formula | C30H60O2 |
| Molecular weight | 452.80 |
| label |
triacontanic acid, Triacontanoic acid, acidic solvent |
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.
