57-63-6
Product Name:
Ethinyl Estradiol
Formula:
C20H24O2
Synonyms:
17α-Ethynyl-1,3,5(10)-estratriene-3,17β-diol;17α-Ethynylestradiol;19-Nor-1,3,5(10),17α-pregnatrien-20-yne-3,17-diol;EE;Ethinylestradiol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Ethinylestradiol is a fine white to creamy white powder. A synthetic steroid. Used in combination with progestogen as an oral contraceptive. |
|---|---|
| Color/Form | Fine, white to creamy white crystalline powder |
| Odor | Odorless |
| Melting Point | 288 to 295 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| LogP | 3.67 |
| LogS | -4.3 |
| Optical Rotation | Fine needles from methanol and water, mp 141-146 °C. Specific optical rotation: 1 deg at 25 °C/D (dioxane). Dehydrates after melting and further heating /Ethinyl estradiol hemihydrate/ |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Dielectric Constant | UV max (ethanol): 281 nm (molar extinction coefficient; dielectric constant = 2040 +/- 60 g-moles/L) |
| Collision Cross Section | 168.55 Ų [M+H-H2O]+ |
| Kovats Retention Index | 2719 |
| Other Experimental Properties | Sensitive to light |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H350:Carcinogenicity H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 296.4 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 296.177630004 g/mol |
| Monoisotopic Mass | 296.177630004 g/mol |
| Topological Polar Surface Area | 40.5 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 505 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Ethinylestradiol is a fine white to creamy white powder. A synthetic steroid. Used in combination with progestogen as an oral contraceptive.