Introduction：Basic information about Estradiol benzoate CAS 50-50-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Estradiol benzoate Basic information
| Product Name: | Estradiol benzoate |
| Synonyms: | (17beta)-Estra-1,3,5(10)-triene-3,17-diol 3-benzoate;1,3,5(10)-Estratriene-3,17-diol-3-benzoate;1,3,5(10)-Oestratriene-3,17-beta-diol 3-benzoate;1,3,5(10)-oestratriene-3,17-beta-diol3-benzoate;BETA-ESTRADIOL 3-BENZOATE;BETA-ESTRADIOL BENZOATE;B-ESTRADIOL-3-BENZOATE;17beta-Estradiol monobenzoate |
| CAS: | 50-50-0 |
| MF: | C25H28O3 |
| MW: | 376.5 |
| EINECS: | 200-043-7 |
| Product Categories: | Hormone;Biochemistry;Hydroxysteroids;Steroids;Hormone Drugs;progestogen estrogen;ACCUTANE;API;APIs;50-50-0 |
| Mol File: | 50-50-0.mol |
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Estradiol benzoate Chemical Properties
| Melting point | 191-198 °C(lit.) |
| alpha | D25 +58 to +63° (c = 2 in dioxane) |
| Boiling point | 465.03°C (rough estimate) |
| density | 1.0493 (rough estimate) |
| refractive index | 1.5460 (estimate) |
| storage temp. | 2-8°C |
| solubility | Practically insoluble in water, freely soluble in methylene chloride, sparingly soluble in acetone, slightly soluble in methanol. |
| pka | 15.06±0.40(Predicted) |
| form | Solid |
| color | White |
| Water Solubility | 0.4mg/L(25 ºC) |
| Merck | 3703 |
| BRN | 3107526 |
| InChIKey | UYIFTLBWAOGQBI-BZDYCCQFSA-N |
| SMILES | [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc4cc(OC(=O)c5ccccc5)ccc24 |
| CAS DataBase Reference | 50-50-0(CAS DataBase Reference) |
| NIST Chemistry Reference | Estradiol benzoate(50-50-0) |
Safety Information
| Hazard Codes | T |
| Risk Statements | 60-61-40 |
| Safety Statements | 53-22-36/37/39-45 |
| WGK Germany | 3 |
| RTECS | KG4050000 |
| F | 8 |
| HS Code | 29372319 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Carc. 2
Repr. 1B |
Estradiol benzoate Usage And Synthesis
| Chemical Properties | White solid |
| Uses | antiacne, antineoplastic |
| Uses | Estradiol is the major estrogen secreted by the premenopausal ovary. Estradiol benzoate is an estradiol analog which contains a benzyl ester at the C-3 position. Estradiol benzoate is useful in the treatment of lesions produced by diminution of bodily production of estrogens. |
| Definition | ChEBI: A benzoate ester resulting from the formal condensation of benzoic acid with the phenolic hydroxy group of 17beta-estradiol. |
| Clinical Use | Estradiol is a semisynthetic estrogen compound. Its effects will mimic that of estrogen in animals. The most common use in small animals has been to terminate pregnancy.
Estradiol benzoate also has been used to terminate pregnancy (5-10 mg/kg divided into two or three SQ injections). Estradiol cypionate formulation had high efficacy (95%), but it had serious adverse effects and is not recommended. Estradiol cypionate is longer acting and more potent than other estrogen formulations. Estradiol valerate injection (20 mg/mL) is also available for human medicine to treat hypoestrogenism. |
| Safety Profile | Confirmed carcinogen with experimental carcinogenic, tumorigenic, and teratogenic data. Human reproductive effects by intramuscular route: menstrual cycle changes and disorders. Experimental reproductive effects. Mutation data reported. A steroid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTRADIOL. |
Estradiol benzoate Preparation Products And Raw materials
| Raw materials | dibenzoyl disulphide-->Estrone |
| Preparation Products | 1,3,5(10)-ESTRATRIEN-3,17-BETA-DIOL DIBENZOATE-->β-Estradiol-->Orestrate |
