Chemical Properties of Ethinyl Estradiol (CAS 57-63-6)

Ethinyl Estradiol

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InChI
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
InChI Key
BFPYWIDHMRZLRN-UHFFFAOYSA-N
Formula
C20H24O2
SMILES
C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C
Molecular Weight1
296.40
CAS
57-63-6
Other Names
  • 17-Ethinyl-3,17-estradiol
  • 17-Ethinyl-3,17-oestradiol
  • 17-Ethinylestradiol
  • 17-Ethynyl-3-17-dihydroxy-1,3,5-oestratriene
  • 17-Ethynylestra-1(10),2,4-triene-3,17-diol
  • 17-Ethynylestradiol
  • 17-Ethynylestradiol ram
  • 17-Ethynyloestra-1,3,5(10)-triene-3,17«beta»-diol
  • 17-Ethynyloestra-1,3,5(10)-triene-3,17«beta»-diol
  • 17-Ethynyloestradiol
  • 17.alpha.-ethinyl-17.beta.-estradiol
  • 17.alpha.-ethinylestradiol
  • 17.alpha.-ethynylestra-1,3,5(10)-triene-3,17.beta.-diol
  • 17.alpha.-ethynylestradiol
  • 17«alpha»-Ethinyl-1,3,5(10)-estratriene-3,17-diol
  • 17«alpha»-Ethinyl-17«beta»-estradiol
  • 17«alpha»-Ethinyl-3,17-dihydroxy-«delta»(sup1,3,5)-estratriene
  • 17«alpha»-Ethinylestra-1,3,5(10)-triene-3,17«beta»-diol
  • 17«alpha»-Ethinylestradiol
  • 17«alpha»-Ethynyl-1,3,5(10)-estratriene-3,17«beta»-diol
  • 17«alpha»-Ethynyl-1,3,5(10)-oestratriene-3,17«beta»-diol
  • 17«alpha»-Ethynyl-1,3,5-estratriene-3,17«beta»-diol
  • 17«alpha»-Ethynyl-1,3,5-oestratriene-3,17«beta»-diol
  • 17«alpha»-Ethynyl-17«beta»-oestradiol
  • 17«alpha»-Ethynylestra-1,3,5(10)-triene-3,17«beta»-diol
  • 17«alpha»-Ethynylestradiol
  • 17«alpha»-Ethynylestradiol-l7«beta»
  • 17«alpha»-Ethynyloestra-1,3,5(10)-triene-3,17«beta»-diol
  • 17«alpha»-Ethynyloestradiol
  • 17«alpha»-Ethynyloestradiol-17«beta»
  • 17«alpha»-ethinyl-3,17-dihydroxy-«delta»(sup1,3,5)oestratriene
  • 17«alpha»-ethinyl-«delta»(sup1,3,5(10))oestratriene-3,17-«beta» -diol
  • 17«alpha»-ethinyloestra-1,3,5(10)-triene-3,17«beta»-diol
  • 17«beta»-Estradiol, 17-ethynyl-
  • 17«alpha»-Ethinyl-1,3,5(10)-estratriene-3,17-diol
  • 17«alpha»-Ethinyl-17«beta»-estradiol
  • 17«alpha»-Ethinyl-3,17-dihydroxy-«delta»(sup1,3,5)-estratriene
  • 17«alpha»-Ethinylestra-1,3,5(10)-triene-3,17«beta»-diol
  • 17«alpha»-Ethinylestradiol
  • 17«alpha»-Ethynyl-1,3,5(10)-estratriene-3,17«beta»-diol
  • 17«alpha»-Ethynyl-1,3,5(10)-oestratriene-3,17«beta»-diol
  • 17«alpha»-Ethynyl-1,3,5-estratriene-3,17«beta»-diol
  • 17«alpha»-Ethynyl-1,3,5-oestratriene-3,17«beta»-diol
  • 17«alpha»-Ethynyl-17«beta»-oestradiol
  • 17«alpha»-Ethynylestra-1,3,5(10)-triene-3,17«beta»-diol
  • 17«alpha»-Ethynylestradiol
  • 17«alpha»-Ethynylestradiol-l7«beta»
  • 17«alpha»-Ethynyloestra-1,3,5(10)-triene-3,17«beta»-diol
  • 17«alpha»-Ethynyloestradiol
  • 17«alpha»-Ethynyloestradiol-17«beta»
  • 17«alpha»-ethinyl-3,17-dihydroxy-«delta»(sup1,3,5)oestratriene
  • 17«alpha»-ethinyl-«delta»(sup1,3,5(10))oestratriene-3,17-«beta» -diol
  • 17«alpha»-ethinyloestra-1,3,5(10)-triene-3,17«beta»-diol
  • 17«beta»-Estradiol, 17-ethynyl-
  • 19-Nor-17«alpha»-pregna-1,3,5(10)-trien-20-yn-3,17-diol
  • 19-Nor-17«alpha»-pregna-1,3,5(10)-trien-20-yne-3,17«beta»-diol
  • 19-Nor-17«alpha»-pregna-1,3,5(10)-trien-20-yn-3,17-diol
  • 19-Nor-17«alpha»-pregna-1,3,5(10)-trien-20-yne-3,17«beta»-diol
  • 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol (ethinyl estradiol)
  • 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17«alpha»)-
  • 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17«alpha»)-
  • 19-nor-17.alpha.-pregna-1,3,5(10)-trien-20-yne-3,17-diol
  • 19-nor-17«alpha»-Pregna-1,3,5(10)-trien-20-yne-3,17-diol
  • 19-nor-17«alpha»-Pregna-1,3,5(10)-trien-20-yne-3,17-diol
  • 3,17«beta»-Dihydroxy-17«alpha»-ethynyl-1,3,5(10)-estratriene
  • 3,17«beta»-Dihydroxy-17«alpha»-ethynyl-1,3,5(10)-oestratriene
  • 3,17«beta»-Dihydroxy-17«alpha»-ethynyl-1,3,5(10)-estratriene
  • 3,17«beta»-Dihydroxy-17«alpha»-ethynyl-1,3,5(10)-oestratriene
  • Amenoron
  • Anovlar
  • Chee-O-Gen
  • Chee-O-Genf
  • Diognat-E
  • Diogyn-E
  • Dyloform
  • EE
  • Ertonyl
  • Esteed
  • Estigyn
  • Estinyl
  • Eston-E
  • Estoral
  • Estoral (orion)
  • Estorals
  • Estra-1,3,5(10)-triene-3,17«beta»-diol, 17-ethynyl-
  • Estra-1,3,5(10)-triene-3,17«beta»-diol, 17«alpha»-ethynyl-
  • Estra-1,3,5(10)-triene-3,17«beta»-diol, 17-ethynyl-
  • Estra-1,3,5(10)-triene-3,17«beta»-diol, 17«alpha»-ethynyl-
  • Estradiol, 17-ethynyl-
  • Estrogen
  • Ethidol
  • Ethinoral
  • Ethinylestriol
  • Ethinyloestradiol
  • Ethy 11
  • Ethynylestradiol
  • Ethynyloestradiol
  • Eticyclin
  • Eticyclol
  • Eticylol
  • Etinestrol
  • Etinestryl
  • Etinoestryl
  • Etistradiol
  • Etivex
  • Feminone
  • Follicoral
  • Ginestrene
  • Gynolett
  • Inestra
  • Kolpolyn
  • Linoral
  • Lynoral
  • Menolyn
  • NSC-10973
  • Neo-Estrone
  • Nogest-S
  • Novestrol
  • Oradiol
  • Orestralyn
  • Orestrayln
  • Ovex
  • Palonyl
  • Perovex
  • Primogyn
  • Primogyn C
  • Primogyn M
  • Progynon C
  • Progynon M
  • Prosexol
  • Spanestrin
  • Thiuram E
  • Thiuranide
  • Ylestol
  • Ylestrol
  • component of Brevicon
  • component of Demulen
  • component of Desogen
  • component of Estopherol
  • component of Estostep
  • component of Estrostep
  • component of Gynetone
  • component of Halodrin
  • component of Levlen
  • component of Lo/ovral
  • component of Loestrin
  • component of Modicon
  • component of Neocon
  • component of Nolestrin
  • component of Nordette
  • component of Norethin 1/35e
  • component of Norethrin 1/35e
  • component of Norlestrin
  • component of Oracon
  • component of Ortho-cyclen
  • component of Ortho-novum
  • component of Ortrel
  • component of Ovcon
  • component of Ovral
  • component of Tri-levlen
  • component of Triphasil
  • component of Zorane
  • ethinylestradiol
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Physical Properties

Property Value Unit Source
Δf 283.58 kJ/mol Joback Calculated Property
Δfgas -72.83 kJ/mol Joback Calculated Property
Δfus 33.80 kJ/mol Joback Calculated Property
Δvap 89.77 kJ/mol Joback Calculated Property
log10WS [-4.30; -4.30]   Show Hide
log10WS -4.30 Aq. Sol...
log10WS -4.30 Estimat...
logPoct/wat 3.613 Crippen Calculated Property
McVol 239.460 ml/mol McGowan Calculated Property
Pc 2579.34 kPa Joback Calculated Property
Inp [2719.00; 2782.90]   Show Hide
Inp 2782.90 NIST
Inp 2719.00 NIST
Inp 2719.00 NIST
Tboil 871.48 K Joback Calculated Property
Tc 1117.97 K Joback Calculated Property
Tfus 459.00 ± 1.00 K NIST
Vc 0.844 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [807.81; 972.44] J/mol×K [871.48; 1117.97] Show Hide
Cp,gas 807.81 J/mol×K 871.48 Joback Calculated Property
Cp,gas 830.60 J/mol×K 912.56 Joback Calculated Property
Cp,gas 854.59 J/mol×K 953.64 Joback Calculated Property
Cp,gas 880.29 J/mol×K 994.73 Joback Calculated Property
Cp,gas 908.18 J/mol×K 1035.81 Joback Calculated Property
Cp,gas 938.73 J/mol×K 1076.89 Joback Calculated Property
Cp,gas 972.44 J/mol×K 1117.97 Joback Calculated Property
ΔfusH 27.57 kJ/mol 456.20 NIST

Similar Compounds

Estra-1,3,5(10)-triene-3,17-diol, 17-methyl-, (17«beta»)-. 17«alpha»-ethynylestradiol, 3-acetate. Mestranol. Estradiol. «alpha»-Estradiol. 17«alpha»-ethynylestradiol, 3-formate. Estriol. Epiestriol. 17«alpha»-ethynylestradiol, 3-butyrate. 17«alpha»-ethynylestradiol, 3-propionate. 1,3,5(10)-Oestratriene-3,17«beta»-diol, 3-non-deriv-17-HFB. Estradiol Cypionate. 1,3,5(10)-Oestratrien-17«alpha»-ol, 3-methoxy. Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, (17«beta»)-. 17Alpha-ethyl-3-methoxyestra-1,3,5(10)-trien-17beta-ol.

Find more compounds similar to Ethinyl Estradiol.

Mixtures

Sources

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