BDMAEE

Structural formula

Business number	01GZ
Molecular formula	C21H26O2
Molecular weight	310.44
label	Ethinyl Estradiol Methyl Ether, mestranol, 17α-Ethynylestradiol 3-methyl ether, 3-Methoxy-17α-ethynylestradiol, 17α-Ethynyl-1,3,5(10)-estratriene-3, 17β-diol 3-methyl ether

• 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:72-33-3

MDL number:MFCD00003689

EINECS number:200-777-8

RTECS number:RC8960000

BRN number:2625905

PubChem ID:None

Physical property data

1. Properties: Uncertain

2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density (g/mL, air =1): Uncertain

4. Melting point (ºC): 153-155 (lit.)

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

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

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific optical rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25 ºC): Uncertain

12. Saturated vapor pressure (kPa, 60 ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient : Uncertain

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility: Uncertain

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 91.10

2. Molar volume (cm³/mol): 269.4

3. Isotonic specific volume (90.2K ): 715.8

4. Surface tension (dyne/cm): 49.8

5. Polarizability (10-24cm3): 36.11

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 29.5

7. Number of heavy atoms: 23

8. Surface charge: 0

9. Complexity: 519

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 5

12. Number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be kept sealed, cool, dry and away from light.

Synthesis method

None

Purpose

Mainly used for ovarian insufficiency, amenorrhea, functional uterine bleeding, menopausal syndrome, etc.