Ethinyl Estradiol

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  • Identifiers

    CAS number
    57-63-6

    Molecular formula
    C20H24O2

    SMILES
    C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 45.98%
    Spicy 36.91%
    Animal 32.9%
    Balsamic 32.28%
    Sweet 31.71%
    Amber 31.26%
    Dry 30.87%
    Musk 28.59%
    Earthy 24.7%
    Phenolic 23.95%

     

    Flavor
    Bitter 71.65%
    Fruity 31.0%
    Sweet-like 21.22%
    Cedarleaf 21.16%
    Alkaline 20.69%
    Patchouli 20.52%
    Very strong 20.39%
    Indole 20.29%
    Nitrile 20.14%
    Odorless 20.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    9.11 (weak base)

    Molecular weight
    296.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    502°C

    Melting point expt.

    • 288 to 295 °F (NTP, 1992)
    • 142-144
    • 142-146 °C. May also exist in a polymorphic modification with mp 180-186 °C
    • 183 °C

    Flash point

    • 208.49 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • 11.3 mg/L (at 27 °C)
    • Solubility: 1 part in 6 of ethanol, 1 in 4 of ether, 1 in 5 of acetone, 1 in 4 of dioxane, and 1 in 20 of chloroform. Soluble in vegetable oils, and in solutions of fixed alkali hydroxides.
    • Soluble in solutions of sodium hydroxide or potassium hydroxide
    • In double-distilled water, 4.83 mg/L
    • In water, 11.3 mg/L at 27 °C
    • 0.0113 mg/mL at 27 °C

  • Synonyms

    • ethinyl estradiol
    • Ethynylestradiol
    • 57-63-6
    • ETHINYLESTRADIOL
    • Ethynyl estradiol
    • Ethinyloestradiol
    • 17-Ethinylestradiol
    • Estinyl
    • Ginestrene
    • 17alpha-Ethynylestradiol
    • Amenoron
    • Dyloform
    • Estorals
    • Ethinoral
    • Eticyclin
    • Eticyclol
    • Etinestrol
    • Etinestryl
    • Etinoestryl
    • Etistradiol
    • Feminone
    • Follicoral
    • Novestrol
    • Orestralyn
    • Primogyn
    • Spanestrin
    • Ertonyl
    • Esteed
    • Estigyn
    • Estoral
    • Ethidol
    • Inestra
    • Linoral
    • Lynoral
    • Menolyn
    • Oradiol
    • Neo-Estrone
    • Primogyn C
    • Primogyn M
    • Progynon C
    • Nogest-S
    • Palonyl
    • Perovex
    • Eston-E
    • Diogyn E
    • 17alpha-Ethinylestradiol
    • Chee-O-Genf
    • Chee-O-Gen
    • Ethynyloestradiol
    • Estoral (Orion)
    • Diprol
    • 17alpha-Ethinyl estradiol
    • 17-Ethinyl-3,17-estradiol
    • 17-Ethinyl-3,17-oestradiol
    • 17-Ethynylestradiol
    • Ethinyl-oestranol
    • 17-Ethynyloestradiol
    • Diognat-E
    • Diogyn-E
    • Aethinyloestradiolum
    • Etinilestradiol
    • Orestrayln
    • Eticylol
    • Prosexol
    • Ylestrol
    • Ethinylestradiolum
    • Ethinyl E2
    • Certostat
    • Anovlar
    • Etivex
    • Etinilestradiolo
    • Aethinyoestradiol
    • Progynon M
    • NSC-10973
    • EE(sub 2)
    • 17alpha-Ethynyloestradiol
    • Estradiol, 17-ethynyl-
    • 17a-Ethynylestradiol
    • Etinilestradiol [INN-Spanish]
    • Ethinylestradiolum [INN-Latin]
    • Ethinyl Estradiol [USP]
    • 17alpha-Ethinylestradiol-17beta
    • CCRIS 286
    • HSDB 3587
    • 17.alpha.-Ethinylestradiol
    • 17.alpha.-Ethynylestradiol
    • Estoral [Orion]
    • EINECS 200-342-2
    • 17.alpha.-Ethynyloestradiol
    • MFCD00003690
    • Microfollin
    • BRN 2419975
    • 17a-Ethinylestradiol
    • CHEBI:4903
    • EE
    • EE2
    • UNII-423D2T571U
    • AI3-52941
    • 17alpha-Ethinyl-17beta-estradiol
    • 17 alpha-ethinyestradiol
    • Ethinyl estradiol (USP)
    • 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17a)-
    • CHEMBL691
    • 17-alpha-ethynyl estradiol
    • 423D2T571U
    • Ethinylestradiol (Standard)
    • 17.alpha.-Ethinyl-17.beta.-estradiol
    • 17.alpha.-Ethynyl-17.beta.-oestradiol
    • Norinyl
    • 17alpha-ethinylestra-1,3,5(10)-triene-3,17beta-diol
    • MLS000028479
    • 17alpha-ethinyloestra-1,3,5(10)-triene-3,17beta-diol
    • Estopherol
    • DTXSID5020576
    • 19-Nor-17alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol
    • 17-alpha-Ethynylestradiol
    • NSC10973
    • 17.alpha.-Ethynylestradiol-l7.beta.
    • YAZ COMPONENT ETHINYL ESTRADIOL
    • (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
    • (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
    • 17.alpha.-Ethynyloestradiol-17.beta.
    • 17alpha-Ethynylestra-1,3,5(10)-triene-3,17beta-diol
    • BEYAZ COMPONENT ETHINYL ESTRADIOL
    • Estoral (VAN)
    • OVRAL COMPONENT ETHINYL ESTRADIOL
    • ZOVIA COMPONENT ETHINYL ESTRADIOL
    • Aethinyoestradiol [German]

  • Applications

    Ethinyl Estradiol (CAS 57-63-6) is primarily used as an active pharmaceutical ingredient in combined oral contraceptives and in hormone replacement therapy formulations. It also serves as a starting material or intermediate in the synthesis of synthetic estrogens for medicinal chemistry research and formulation development. In analytical contexts, it is used as a reference standard for assay development and quality control (for example in HPLC/LC-MS methods). Its production and use are subject to regulatory controls and formulation-specific constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 128.7
    methanol 300.93
    isopropanol 83.68
    water 1.36
    ethyl acetate 147.7
    n-propanol 82.91
    acetone 186.14
    n-butanol 79.47
    acetonitrile 58.07
    DMF 220.48
    toluene 37.01
    isobutanol 33.57
    1,4-dioxane 256.6
    methyl acetate 71.18
    THF 599.33
    2-butanone 72.78
    n-pentanol 18.58
    sec-butanol 14.74
    n-hexane 0.72
    ethylene glycol 35.06
    NMP 30.85
    cyclohexane 2.04
    DMSO 190.72
    n-butyl acetate 58.45
    n-octanol 11.26
    chloroform 147.0
    n-propyl acetate 48.18
    acetic acid 67.18
    dichloromethane 112.89
    cyclohexanone 104.2
    propylene glycol 19.71
    isopropyl acetate 128.61
    DMAc 94.65
    2-ethoxyethanol 94.1
    isopentanol 49.04
    n-heptane 1.47
    ethyl formate 61.07
    1,2-dichloroethane 77.46
    n-hexanol 33.96
    2-methoxyethanol 319.87
    isobutyl acetate 40.37
    tetrachloromethane 16.94
    n-pentyl acetate 38.99
    transcutol 319.13
    n-heptanol 21.07
    ethylbenzene 11.73
    MIBK 84.73
    2-propoxyethanol 149.28
    tert-butanol 64.66
    MTBE 42.36
    2-butoxyethanol 70.12
    propionic acid 37.19
    o-xylene 16.28
    formic acid 65.83
    diethyl ether 106.66
    m-xylene 27.83
    p-xylene 14.44
    chlorobenzene 40.39
    dimethyl carbonate 87.58
    n-octane 1.02
    formamide 138.61
    cyclopentanone 152.49
    2-pentanone 120.65
    anisole 49.05
    cyclopentyl methyl ether 85.09
    gamma-butyrolactone 151.69
    1-methoxy-2-propanol 227.32
    pyridine 92.59
    3-pentanone 57.12
    furfural 124.9
    n-dodecane 0.93
    diethylene glycol 155.27
    diisopropyl ether 22.2
    tert-amyl alcohol 15.86
    acetylacetone 225.23
    n-hexadecane 1.11
    acetophenone 44.47
    methyl propionate 91.66
    isopentyl acetate 58.73
    trichloroethylene 137.64
    n-nonanol 14.06
    cyclohexanol 24.94
    benzyl alcohol 36.89
    2-ethylhexanol 16.66
    isooctanol 18.04
    dipropyl ether 30.01
    1,2-dichlorobenzene 38.46
    ethyl lactate 36.1
    propylene carbonate 73.58
    n-methylformamide 141.58
    2-pentanol 26.88
    n-pentane 1.32
    1-propoxy-2-propanol 82.41
    1-methoxy-2-propyl acetate 129.03
    2-(2-methoxypropoxy) propanol 57.47
    mesitylene 17.17
    ε-caprolactone 70.35
    p-cymene 11.41
    epichlorohydrin 215.89
    1,1,1-trichloroethane 52.68
    2-aminoethanol 54.66
    morpholine-4-carbaldehyde 123.39
    sulfolane 113.32
    2,2,4-trimethylpentane 0.73
    2-methyltetrahydrofuran 72.03
    n-hexyl acetate 36.98
    isooctane 1.57
    2-(2-butoxyethoxy)ethanol 90.24
    sec-butyl acetate 38.87
    tert-butyl acetate 120.75
    decalin 1.41
    glycerin 63.61
    diglyme 197.54
    acrylic acid 38.97
    isopropyl myristate 18.89
    n-butyric acid 94.97
    acetyl acetate 108.13
    di(2-ethylhexyl) phthalate 22.91
    ethyl propionate 51.13
    nitromethane 191.83
    1,2-diethoxyethane 86.63
    benzonitrile 43.67
    trioctyl phosphate 17.06
    1-bromopropane 23.03
    gamma-valerolactone 223.71
    n-decanol 10.99
    triethyl phosphate 26.44
    4-methyl-2-pentanol 24.64
    propionitrile 63.65
    vinylene carbonate 87.34
    1,1,2-trichlorotrifluoroethane 105.86
    DMS 61.37
    cumene 9.34
    2-octanol 10.98
    2-hexanone 33.95
    octyl acetate 21.31
    limonene 11.76
    1,2-dimethoxyethane 186.75
    ethyl orthosilicate 25.5
    tributyl phosphate 19.07
    diacetone alcohol 104.99
    N,N-dimethylaniline 26.33
    acrylonitrile 90.49
    aniline 46.42
    1,3-propanediol 138.26
    bromobenzene 39.39
    dibromomethane 54.32
    1,1,2,2-tetrachloroethane 93.27
    2-methyl-cyclohexyl acetate 35.0
    tetrabutyl urea 24.7
    diisobutyl methanol 16.11
    2-phenylethanol 49.01
    styrene 14.55
    dioctyl adipate 28.49
    dimethyl sulfate 97.57
    ethyl butyrate 45.92
    methyl lactate 60.89
    butyl lactate 38.64
    diethyl carbonate 38.08
    propanediol butyl ether 47.5
    triethyl orthoformate 37.12
    p-tert-butyltoluene 11.72
    methyl 4-tert-butylbenzoate 53.76
    morpholine 201.88
    tert-butylamine 23.69
    n-dodecanol 8.41
    dimethoxymethane 467.93
    ethylene carbonate 83.12
    cyrene 56.84
    2-ethoxyethyl acetate 85.96
    2-ethylhexyl acetate 39.03
    1,2,4-trichlorobenzene 39.42
    4-methylpyridine 69.4
    dibutyl ether 16.29
    2,6-dimethyl-4-heptanol 16.11
    DEF 69.43
    dimethyl isosorbide 104.37
    tetrachloroethylene 66.56
    eugenol 57.55
    triacetin 60.68
    span 80 40.38
    1,4-butanediol 23.49
    1,1-dichloroethane 60.99
    2-methyl-1-pentanol 15.49
    methyl formate 112.71
    2-methyl-1-butanol 22.43
    n-decane 1.51
    butyronitrile 66.08
    3,7-dimethyl-1-octanol 14.77
    1-chlorooctane 6.29
    1-chlorotetradecane 3.15
    n-nonane 1.18
    undecane 1.16
    tert-butylcyclohexane 1.39
    cyclooctane 1.12
    cyclopentanol 25.6
    tetrahydropyran 131.86
    tert-amyl methyl ether 17.5
    2,5,8-trioxanonane 115.92
    1-hexene 3.67
    2-isopropoxyethanol 54.06
    2,2,2-trifluoroethanol 43.81
    methyl butyrate 54.19

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction