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

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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