CAS Number56-53-1
SynonymsStilboesterol; trans-Diethyl Stilbestrol; Stil; Percutacrine Oestrogenique Iscovesco; Sibol; stilboestrol; 4,4'-hex-3-ene-3,4-diyldiphenol; cyrena; Synthestrin; Monozol; Diethylstilbestrol; 4,4'-(3E)-hex-3-ene-3,4-diyldiphenol; Estril; (E)-3,4-Bis(p-hydroxyphenyl)-3-hexene; Bufon; Desma; Cyren; 4,4'-(1,2-diethyl-1,2-ethenediyl)bisphenol; 4,4'-[(3E)-3-Hexene-3,4-diyl]diphenol; a,a'-Diethylstilbenediol; Estrogenine; 4,4'-[(1E)-1,2-Diethyl-1,2-ethenediyl]bisphenol; MFCD00002373; α,α'-Diethyl-4,4'-stilbenediol; DES; (E)-a,a'-Diethyl-4,4'-stilbenediol; EINECS 200-278-5; trans-α,α'-Diethyl-4,4'-stilbenediol; DES (VAN); 4,4'-Dihydroxy-a,b-diethylstilbene
Molecular FormulaC18H20O2
Molecular Weight268.35
Purity≥99 (HPLC)%
Density1.1±0.1 g/cm3
Boiling Point407.1±25.0 °C at 760 mmHg
Melting Point170-172 °C(lit.)
Appearancepowder
EINECS200-278-5
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 56-53-1 |
| Catalog No. | 2A-9010134 |
| Chinese Name | 己烯雌酚 |
| Synonyms | Stilboesterol; trans-Diethyl Stilbestrol; Stil; Percutacrine Oestrogenique Iscovesco; Sibol; stilboestrol; 4,4'-hex-3-ene-3,4-diyldiphenol; cyrena; Synthestrin; Monozol; Diethylstilbestrol; 4,4'-(3E)-hex-3-ene-3,4-diyldiphenol; Estril; (E)-3,4-Bis(p-hydroxyphenyl)-3-hexene; Bufon; Desma; Cyren; 4,4'-(1,2-diethyl-1,2-ethenediyl)bisphenol; 4,4'-[(3E)-3-Hexene-3,4-diyl]diphenol; a,a'-Diethylstilbenediol; Estrogenine; 4,4'-[(1E)-1,2-Diethyl-1,2-ethenediyl]bisphenol; MFCD00002373; α,α'-Diethyl-4,4'-stilbenediol; DES; (E)-a,a'-Diethyl-4,4'-stilbenediol; EINECS 200-278-5; trans-α,α'-Diethyl-4,4'-stilbenediol; DES (VAN); 4,4'-Dihydroxy-a,b-diethylstilbene |
| Molecular Formula | C18H20O2 |
| Molecular Weight | 268.35 |
| Purity | ≥99 (HPLC) |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 407.1±25.0 °C at 760 mmHg |
| Melting Point | 170-172 °C(lit.) |
| Appearance | powder |
| Water Solubility | PRACTICALLY INSOLUBLE |
| Storage Condition | This product should be sealed with argon gas and s |
| Packaging | III |
| Application | Diethylstilbestrol is a nonsteroidal estrogen that acts on menopausal and postmenopausal disorders. |
| EINECS | 200-278-5 |
| HTC | 2942000000 |
| UN(IATA) | 3077 |
| PubChem ID | 24893887 |
| MDL Number | MFCD00002373 |
| SMILES | CC\C(c1ccc(O)cc1)=C(\CC)c2ccc(O)cc2 |
| InChI | 1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+ |
| InChI Key | RGLYKWWBQGJZGM-ISLYRVAYSA-N |
| Beilstein/REAXYS | 2056095 |
| NACRES Code | NA.77 |
| UNSPSC | 51111800 |
| Hazard Symbols | 6.1(b) |
| MSDS | msds/10134_1_56_53_1.pdf |
| Bioactivity | Diethylstilbestrol, a synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders.Target: Estrogen Receptor/ERRDiethylstilbestrol (DES), a synthetic estrogen that was used in pregnancy, is a prototype endocrine-disrupting chemical. Although prenatal exposure to DES is known to increase risks of vaginal/cervical adenocarcinoma and adverse reproductive outcomes in women, and urogenital anomalies in men, data on nonreproductive medical conditions are lacking. Comparing persons exposed prenatally to DES with those who were not exposed, the hazard ratios were 1.21 (95% confidence interval = 0.96-1.54) for diabetes, 1.27 (1.00-1.62) for all cardiovascular disease, 1.18 (0.88-1.59) for coronary artery disease, 1.28 (0.88-1.86) for myocardial infarction, 1.12 (1.02-1.22) for high cholesterol, 1.14 (1.02-1.28) for hypertension, 1.24 (0.99-1.54) for osteoporosis, and 1.30 (0.95-1.79) for fractures. The associations did not differ by dose and timing of DES exposure, nor, in the women, by the presence or absence of vaginal epithelial changes (a marker of DES host susceptibility) [1]. The role of prenatal exposure to DES as an environmental risk factor for psychiatric disorders requires more evidence before any conclusions can be drawn [2]. Related Catalog Signaling Pathways >> Others >> Estrogen Receptor/ERR Research Areas >> Endocrinology References [1]. Troisi, R., et al., Medical conditions among adult offspring prenatally exposed to diethylstilbestrol. Epidemiology, 2013. 24(3): p. 430-8. [2]. Kebir, O. and M.O. Krebs, Diethylstilbestrol and risk of psychiatric disorders: a critical review and new insights. World J Biol Psychiatry, 2012. 13(2): p. 84-95. Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 407.1±25.0 °C at 760 mmHg Melting Point 170-172 °C(lit.) Molecular Formula C18H20O2 Molecular Weight 268.350 Flash Point 186.9±17.8 °C Exact Mass 268.146332 PSA 40.46000 LogP 5.93 Vapour Pressure 0.0±1.0 mmHg at 25°C Index of Refraction 1.603 InChIKey RGLYKWWBQGJZGM-ISLYRVAYSA-N SMILES CCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1 Storage condition 0-6°C Stability Isomerizes rapidly in Benzene, Chloroform, and Ether.Keep Shielded from light. Water Solubility PRACTICALLY INSOLUBLE |
| Use of | Diethylstilbestrol, a synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders.Target: Estrogen Receptor/ERRDiethylstilbestrol (DES), a synthetic estrogen that was used in pregnancy, is a prototype endocrine-disrupting chemical. Although prenatal exposure to DES is known to increase risks of vaginal/cervical adenocarcinoma and adverse reproductive outcomes in women, and urogenital anomalies in men, data on nonreproductive medical conditions are lacking. Comparing persons exposed prenatally to DES with those who were not exposed, the hazard ratios were 1.21 (95% confidence interval = 0.96-1.54) for diabetes, 1.27 (1.00-1.62) for all cardiovascular disease, 1.18 (0.88-1.59) for coronary artery disease, 1.28 (0.88-1.86) for myocardial infarction, 1.12 (1.02-1.22) for high cholesterol, 1.14 (1.02-1.28) for hypertension, 1.24 (0.99-1.54) for osteoporosis, and 1.30 (0.95-1.79) for fractures. The associations did not differ by dose and timing of DES exposure, nor, in the women, by the presence or absence of vaginal epithelial changes (a marker of DES host susceptibility) [1]. The role of prenatal exposure to DES as an environmental risk factor for psychiatric disorders requires more evidence before any conclusions can be drawn [2]. Properties Articles95 Name diethylstilbestrol Synonym More Synonyms Diethylstilbestrol Biological Activity Description Diethylstilbestrol, a synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders.Target: Estrogen Receptor/ERRDiethylstilbestrol (DES), a synthetic estrogen that was used in pregnancy, is a prototype endocrine-disrupting chemical. Although prenatal exposure to DES is known to increase risks of vaginal/cervical adenocarcinoma and adverse reproductive outcomes in women, and urogenital anomalies in men, data on nonreproductive medical conditions are lacking. Comparing persons exposed prenatally to DES with those who were not exposed, the hazard ratios were 1.21 (95% confidence interval = 0.96-1.54) for diabetes, 1.27 (1.00-1.62) for all cardiovascular disease, 1.18 (0.88-1.59) for coronary artery disease, 1.28 (0.88-1.86) for myocardial infarction, 1.12 (1.02-1.22) for high cholesterol, 1.14 (1.02-1.28) for hypertension, 1.24 (0.99-1.54) for osteoporosis, and 1.30 (0.95-1.79) for fractures. The associations did not differ by dose and timing of DES exposure, nor, in the women, by the presence or absence of vaginal epithelial changes (a marker of DES host susceptibility) [1]. The role of prenatal exposure to DES as an environmental risk factor for psychiatric disorders requires more evidence before any conclusions can be drawn [2]. Related Catalog Signaling Pathways >> Others >> Estrogen Receptor/ERR Research Areas >> Endocrinology References [1]. Troisi, R., et al., Medical conditions among adult offspring prenatally exposed to diethylstilbestrol. Epidemiology, 2013. 24(3): p. 430-8. [2]. Kebir, O. and M.O. Krebs, Diethylstilbestrol and risk of psychiatric disorders: a critical review and new insights. World J Biol Psychiatry, 2012. 13(2): p. 84-95. Chemical & Physical Properties Molecular Formula C18H20O2 Exact Mass 268.146332 PSA 40.46000 Index of Refraction 1.603 InChIKey RGLYKWWBQGJZGM-ISLYRVAYSA-N Stability Isomerizes rapidly in Benzene, Chloroform, and Ether.Keep Shielded from light. Water Solubility PRACTICALLY INSOLUBLE |
| Transport Info | Product name: Purity: 99.0% |
| 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 Names specified by the United Nations (UN) European land transport hazard regulations: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (Diethylstilbestrol) IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (Diethylstilbestrol) International air transport hazard regulations: Environmentally hazardous substance, solid, n.o.s. (Diethylstilbestrol) 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 Maritime Pollutants: Yes International Air Transport Dangerous Regulations: 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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