CAS Number57-63-6
SynonymsEstinyl; Prosexol; diprol; Gynolett; eed; LYNORAL; Estigyn; Dufaston; Kolpolyn; MFCD00003690; Anovlar; Ertonyl; Ethynyl estradiol; Estoral; Esteed; Ethinyl estradiol; (17α)-19-Norpregna-1(10),2,4-trien-20-yne-3,17-diol; 17α-ethynylestradiol; Progylut; Ethynylestradiol; Ethinyloestradiol; (17α)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol; Etinilestradiol; 17alpha-ethynylestradiol; (17b)-17-ethynylestra-1(10),2,4-triene-3,17-diol; 17-Ethynyloestra-1,3,5(10)-triene-3,17β-diol; EINECS 200-342-2; Ylestrol; Progynon M; Ethinyl estradiol (USP)
Molecular FormulaC20H24O2
Molecular Weight296.40
Purity≥98%
Density1.2±0.1 g/cm3
Boiling Point457.2±45.0 °C at 760 mmHg
Melting Point182-183 °C (lit.)
Appearancepowder
EINECS200-342-2
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 57-63-6 |
| Catalog No. | 2A-9016751 |
| Chinese Name | 炔雌醇 |
| Synonyms | Estinyl; Prosexol; diprol; Gynolett; eed; LYNORAL; Estigyn; Dufaston; Kolpolyn; MFCD00003690; Anovlar; Ertonyl; Ethynyl estradiol; Estoral; Esteed; Ethinyl estradiol; (17α)-19-Norpregna-1(10),2,4-trien-20-yne-3,17-diol; 17α-ethynylestradiol; Progylut; Ethynylestradiol; Ethinyloestradiol; (17α)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol; Etinilestradiol; 17alpha-ethynylestradiol; (17b)-17-ethynylestra-1(10),2,4-triene-3,17-diol; 17-Ethynyloestra-1,3,5(10)-triene-3,17β-diol; EINECS 200-342-2; Ylestrol; Progynon M; Ethinyl estradiol (USP) |
| Molecular Formula | C20H24O2 |
| Molecular Weight | 296.40 |
| Purity | ≥98 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 457.2±45.0 °C at 760 mmHg |
| Melting Point | 182-183 °C (lit.) |
| Appearance | powder |
| Water Solubility | ethanol: 50 mg/mL, clear, slightly yellow |
| Storage Condition | This product should be sealed and stored dry at 4° |
| Application | Ethynyl estradiol is a biologically active estrogen. |
| EINECS | 200-342-2 |
| HTC | 2937290090 |
| PubChem ID | 24894585 |
| MDL Number | MFCD00003690 |
| SMILES | [H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]3(O)C#C)[C@]1([H])CCc4cc(O)ccc24 |
| InChI | 1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1 |
| InChI Key | BFPYWIDHMRZLRN-SLHNCBLASA-N |
| Beilstein/REAXYS | 2419975 |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| Hazard Symbols | Transport |
| Risk Codes | R45;R22 |
| Safety Description | S53;S36/37/39;S45 |
| MSDS | msds/16751_1_57_63_6.pdf |
| Bioactivity | Ethynyl estradiol is an orally bio-active estrogen used in almost all modern formulations of combined oral contraceptive pills.Target: Estrogen ReceptorEthinyl estradiol (EE), also sometimes written as ethinylestradiol, ethynyl estradiol, or ethinyl estradiol, is a derivative of 17β-estradiol (E2), the major endogenous estrogen in humans. EE is an orally bioactive estrogen used in many formulations of combined oral contraceptive pills. It is one of the most commonly used medications for this purpose. Transdermal ethinyl estradiol carries a greater risk of clot formation and venous thromboembolism than 17 beta estradiol, which some have theorized to be related to different amounts of hepatic metabolism after absorption. The same contraindications and precautions apply for EE as with other estrogen medications.Estinyl was a preparation of EE alone that was used for the management of menopausal symptoms and female hypogonadism. EE is released into the environment as a xenoestrogen from the urine and feces of people who take it as a medication. The major concern with unopposed estrogen is of endometrial cancer. As such, the medication is generally prescribed with progesterone in the setting of birth control. The first orally active semisynthetic steroidal estrogen, EE (17α-ethynylestradiol), the 17α-ethynyl analog of E2, was synthesized in 1938 by Hans Herloff Inhoffen and Walter Hohlweg at Schering AG in Berlin. Related Catalog Signaling Pathways >> Others >> Estrogen Receptor/ERR Research Areas >> Endocrinology Natural Products >> Steroids Target Human Endogenous Metabolite References [1]. Djerassi C. Chemical birth of the pill. 1992. Am J Obstet Gynecol. 2006 Jan;194(1):290-8. Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 457.2±45.0 °C at 760 mmHg Melting Point 182-183 °C(lit.) Molecular Formula C20H24O2 Molecular Weight 296.403 Flash Point 211.2±23.3 °C Exact Mass 296.177643 PSA 40.46000 LogP 4.52 Vapour Pressure 0.0±1.2 mmHg at 25°C Index of Refraction 1.624 InChIKey BFPYWIDHMRZLRN-SLHNCBLASA-N SMILES C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C Storage condition -20°C Freezer Water Solubility ethanol: 50 mg/mL, clear, slightly yellow |
| Use of | Ethynyl estradiol is an orally bio-active estrogen used in almost all modern formulations of combined oral contraceptive pills.Target: Estrogen ReceptorEthinyl estradiol (EE), also sometimes written as ethinylestradiol, ethynyl estradiol, or ethinyl estradiol, is a derivative of 17β-estradiol (E2), the major endogenous estrogen in humans. EE is an orally bioactive estrogen used in many formulations of combined oral contraceptive pills. It is one of the most commonly used medications for this purpose. Transdermal ethinyl estradiol carries a greater risk of clot formation and venous thromboembolism than 17 beta estradiol, which some have theorized to be related to different amounts of hepatic metabolism after absorption. The same contraindications and precautions apply for EE as with other estrogen medications.Estinyl was a preparation of EE alone that was used for the management of menopausal symptoms and female hypogonadism. EE is released into the environment as a xenoestrogen from the urine and feces of people who take it as a medication. The major concern with unopposed estrogen is of endometrial cancer. As such, the medication is generally prescribed with progesterone in the setting of birth control. The first orally active semisynthetic steroidal estrogen, EE (17α-ethynylestradiol), the 17α-ethynyl analog of E2, was synthesized in 1938 by Hans Herloff Inhoffen and Walter Hohlweg at Schering AG in Berlin. Properties Articles170 Name 17α-ethynylestradiol Synonym More Synonyms Ethynyl estradiol Biological Activity Description Ethynyl estradiol is an orally bio-active estrogen used in almost all modern formulations of combined oral contraceptive pills.Target: Estrogen ReceptorEthinyl estradiol (EE), also sometimes written as ethinylestradiol, ethynyl estradiol, or ethinyl estradiol, is a derivative of 17β-estradiol (E2), the major endogenous estrogen in humans. EE is an orally bioactive estrogen used in many formulations of combined oral contraceptive pills. It is one of the most commonly used medications for this purpose. Transdermal ethinyl estradiol carries a greater risk of clot formation and venous thromboembolism than 17 beta estradiol, which some have theorized to be related to different amounts of hepatic metabolism after absorption. The same contraindications and precautions apply for EE as with other estrogen medications.Estinyl was a preparation of EE alone that was used for the management of menopausal symptoms and female hypogonadism. EE is released into the environment as a xenoestrogen from the urine and feces of people who take it as a medication. The major concern with unopposed estrogen is of endometrial cancer. As such, the medication is generally prescribed with progesterone in the setting of birth control. The first orally active semisynthetic steroidal estrogen, EE (17α-ethynylestradiol), the 17α-ethynyl analog of E2, was synthesized in 1938 by Hans Herloff Inhoffen and Walter Hohlweg at Schering AG in Berlin. Related Catalog Signaling Pathways >> Others >> Estrogen Receptor/ERR Research Areas >> Endocrinology Natural Products >> Steroids Human Endogenous Metabolite References [1]. Djerassi C. Chemical birth of the pill. 1992. Am J Obstet Gynecol. 2006 Jan;194(1):290-8. Chemical & Physical Properties Molecular Formula C20H24O2 Exact Mass 296.177643 PSA 40.46000 Index of Refraction 1.624 InChIKey BFPYWIDHMRZLRN-SLHNCBLASA-N |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 3077 International Maritime Transport Danger Regulations: 3077 International Air Transport Danger Regulations: 3077 14.2 United Nations shipping name European Land Transport Dangerous Regulations: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (17α-Ethynylestradiol) IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (17α-Ethynylestradiol) International air transport hazard regulations: Environmentally hazardous substance, solid, n.o.s. (17α-Ethynylestradiol) 14.3 Transport hazard categories European land transport Dangerous Regulations: 9 International sea transport Dangerous Regulations: 9 International air transport Dangerous Regulations: 9 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: Yes International Maritime Transport Dangerous Regulations International Air Transport Dangerous Regulations: Yes Marine Pollutants (Yes/No): Yes 14.6 Special reminder to users further information Dangerous goods are individually packaged, with liquids exceeding 5 liters or solids exceeding 5 kilograms. The outer packaging of each independent package and the combined independent inner package must have EHS on it. Identification (according to European ADR Regulation 2.2.9.1.10, IMDG Regulation 2.10.3), |
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