Campesterol

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:474-62-4

MDL number:MFCD00010475

EINECS number:207-484-4

RTECS number:None

BRN number:3216975

PubChem number:24892762

Physical property data

1. Character: White

2. Density (g/m³, 20/4℃): 0.98

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

4. Melting point (ºC): 157.5

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

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC ): Undetermined

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 Determined

19. Solubility: Undetermined

Toxicological data

None

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: 124.58

2. Molar volume (cm³/mol): 408.1

3. Isotonic specific volume (90.2K ): 1010.9

4. Surface tension (dyne/cm): 37.6

5. Polarizability (10^-24cm³): 49.38

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 8.8

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 5

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 20.2

p>

7. Number of heavy atoms: 29

8. Surface charge: 0

9. Complexity: 620

10. Number of isotope atoms : 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 9

13. Determine the chemical bond configuration Number of centers: 0

14, Number of uncertain 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 and burley tobacco leaves.

Storage method

Seal and store at -18°C in a ventilated, dry place to avoid contact with other oxides.

Synthesis method

1. Tobacco: FC, 32; FC, 41, 43; FC, 8.

2. Crystallize from acetone.

Purpose

None