Docosanoic acid CAS112-85-6

Details:

Density 0.9± 0.1g /cm3

Boiling point 391.8±5.0 °C at 760 mmHg

Melting point 72-80 °C(lit.)

Molecular formula C22H44O2

Molecular weight 340.584

Flash point 176.3±12.5 °C

Accurate mass 340.334137

PSA 37.30000

LogP 10.34

Appearance character white to cream colored crystal or powder

Vapor pressure 0.0±0.9 mmHg at 25°C

Refractive index 1.459

Storage condition

1. Store in a cool, dry and well-ventilated warehouse. Keep away from fire and heat. Keep out of direct sunlight. The package must be sealed and protected from moisture. It should be stored separately from oxidant, reducing agent and strong alkali, and should not be mixed.

 

2. Equipped with the corresponding variety and quantity of fire equipment. The storage area should be equipped with leak emergency treatment equipment and suitable holding materials.

 

stability

1. Avoid contact with oxidant, reducing agent and alkali.

 

2. It exists in flue-cured tobacco leaves and burley tobacco leaves.

 

Actually insoluble; Very slightly soluble: ethyl ether, ethanol

Molecular structure

V. Molecular Property Data:

 

1. Molar refractive index: 105.53

 

2, molar volume (cm3/mol) : 386.3

 

3. Isotropic volume (90.2K) : 929.2

 

4. Surface tension (dyne/cm) : 33.4

 

5. Polarization (10-24cm3) : 41.83

 

Computational chemistry

1. Reference value of hydrophobic parameter calculation (XlogP) : 9.6

 

2. Number of hydrogen bond donors: 1

 

3. Number of hydrogen bond receptors: 2

 

4. Number of rotatable bonds: 20

 

5. Number of tautomers:

 

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

 

7. Number of heavy atoms: 24

 

8. Surface charge: 0

 

9. Complexity: 250

 

10. Number of isotope atoms: 0

 

11. Determine the number of atomic constitutive centers: 0

 

12. Number of uncertain atomic constitutive centers: 0

 

13. Determine the number of chemical bond structure centers: 0

 

14. Number of uncertain chemical bond structure centers: 0

 

15. Number of covalent bond units: 1