17-Methyltestosterone CAS58-18-4

Details:

Physicochemical properties of methyltestosterone

The density was 1.1± 0.1g /cm3

The boiling point was 434.4±45.0 °C at 760 mmHg

Melting point 162-168 °C(lit.)

The molecular formula is C20H30O2

The molecular weight was 302.451

The flash point was 185.3±21.3 °C

Exact mass 302.224579

PSA was 37.30000

LogP 4.02

Appearance White to off-white crystalline powder

The vapor pressure was 0.0±2.4 mmHg at 25°C

The refractive index was 1.556

Storage conditions

This product should be sealed in a cool and dry place and stored away from light.

 

Molecular structure

V. Molecular property Data:

 

1. Molar refractive index: 87.77

 

2, molar volume (m3/mol) : 272.9

 

3, isotonic specific volume (90.2K) : 702.0

 

4. Surface tension (dyne/cm) : 43.7

 

5. Polarizability (10-24cm 3) : 34.79

 

Computational chemistry

1. Reference value (XlogP) : 3.4

 

2. Number of hydrogen bond donors: 1

 

3. Number of hydrogen bond receptors: 2

 

4. Number of rotatable chemical bonds: 0

 

5. Number of tautomers: 5

 

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

 

7. Number of heavy atoms: 22

 

8. Surface charge: 0

 

9. Complexity: 550

 

10. Number of isotope atoms: 0

 

11. Determine the number of atomic construction centers: 6

 

12, the number of uncertain atomic construction centers: 0

 

13, determine the number of chemical bond erector centers: 0

 

14. The number of uncertain chemical bond formation centers: 0

 

15. Number of covalent bond units: 1

 

More

1. Properties: white crystalline powder. No smell. Microsuction. It is stable in air.

 

2. Density (g/mL,25/4℃) : not determined

 

3. Relative vapor density (g/mL, air =1) : Not determined

 

4. Melting point (ºC) : 161-166 ° C (decomposition)

 

5. Boiling point (ºC, normal pressure) : not determined

 

6. Boiling point (ºC,5.2kPa) : not determined

 

7. Refractive index: not determined

 

8. Flash point (ºC) : Not determined

 

9. Specific rotation (º) : [α]D25 +69° ~ +75° (C=1, dioxane)

 

10. Spontaneous ignition point or ignition temperature (ºC) : not determined

 

11. Vapor pressure (kPa,25ºC) : not determined

 

12. Saturated vapor pressure (kPa,60ºC) : not determined

 

13. Heat of combustion (KJ/mol) : not determined

 

14. Critical temperature (ºC) : not determined

 

15. Critical pressure (KPa) : not determined

 

16. Log value of oil-water (octanol/water) partition coefficient: not determined

 

17. Upper limit of explosion (%,V/V) : not determined

 

18. Lower explosion limit (%,V/V) : not determined

 

19. Solubility: soluble in ethanol, methanol, ether and most other organic solvents, slightly soluble in vegetable oil, almost insoluble in water.