Squalene CAS111-02-4

Details:

Density 0.8± 0.1g /cm3
Boiling point 429.3±0.0 °C at 760 mmHg
Melting point −75 °C(lit.)
Molecular formula C30H50
Molecular weight 410.718
Flash point 254.1±22.2 °C
The exact quality is 410.391266
LogP 13.09
Appearance characteristics transparent, slightly yellow liquid with a faint smell
Vapor pressure 0.0±0.5 mmHg at 25°C
Refractive index 1.492
Storage condition
Store in a cool, ventilated warehouse. Keep away from fire and heat. Should be stored separately from oxidizer, do not mix storage. 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. It is not decomposed at normal temperature and pressure, and contact with strong oxidant is prohibited.

2. It exists in flavored tobacco leaves and flue gas.

3. Found in large quantities in shark liver oil.

Water solubility < 0.1g /100 mL at 19 ºC
Molecular structure
V. Molecular Property Data:

1. Molar refractive index: 140.743

2, molar volume (cm3/mol) : 484.2

3. Isotropic volume (90.2K) : 1126.0

4. Surface tension (dyne/cm) : 29.2

5. Dielectric constant (F/m) : 3.06

6. Polarization (10-24cm3) : 55.67

Computational chemistry
1. Reference value of hydrophobic parameter calculation (XlogP) : 11.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond receptors: 0

4. Number of rotatable bonds: 15

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA) : 0

7. Number of heavy atoms: 30

8. Surface charge: 0

9. Complexity: 578

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: 4

14. Number of uncertain chemical bond structure centers: 0

15. Number of covalent bond units: 1

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