17-beta-Hydroxy-17-alpha-ethinyl-5(10)-estren-3-one

Overview IFRA Request a quote

  • Identifiers

    Molecular formula
    C20H26O2

    SMILES
    CC12CCC3C(C1CC[C@@]2(C#C)O)CCC4=C3CCC(=O)C4

  • Odor profile

    Fragrance
    Woody 74.67%
    Amber 40.29%
    Cedar 37.03%
    Dry 36.96%
    Spicy 33.85%
    Earthy 31.59%
    Animal 30.28%
    Musk 29.85%
    Sandalwood 29.26%
    Fresh 28.64%

     

    Flavor
    Bitter 68.0%
    Cedarleaf 21.8%
    Alkaline 21.38%
    Soil 20.53%
    Beet 20.46%
    Ripe apricot 20.42%
    Shrimp 20.29%
    Cereal 20.29%
    Lovage 20.27%
    Red fruit 19.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.6 (weak base)

    Molecular weight
    298.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    470°C

    Flash point

    • 187.37 ˚C est.

  • Synonyms

    • 17-.alpha.-Ethynyl-17-hydroxyestr-5(10)-en-3-one
    • 17.alpha.-Ethinyl-.DELTA.5(10)-19-nortestosterone
    • 17-.alpha.-Ethinyl-.DELTA.5(10)-19-nortestosterone
    • 17.alpha.-Hydroxy-19-norpregn-5(10)-en-20-yn-3-one
    • 5(10)-Estren-3-one, 17alpha-ethynyl-17beta-hydroxy-
    • 17-.alpha.-Ethynyl-17-.beta.-hydroxy-5(10)-estren-3-one
    • 17-.beta.-Hydroxy-17-.alpha.-ethinyl-5(10)-estren-3-one
    • 17-Hydroxy-19-nor-17.alpha.-pregn-5(10)-en-20-yn-3-one
    • (17-.alpha.)-17-Hydroxy-19-norpregn-5(10)-en-20-yn-3-one
    • 17-.alpha.-Ethynyl-17-.beta.-hydroxy-.DELTA.5(10)-estren-3-one
    • 17.alpha.-Ethinyl-17.beta.-hydroxy-.DELTA.5(10)-estren-3-one
    • 17.alpha.-Ethynyl-17.beta.-hydroxy-.DELTA.5(10)-estren-3-one
    • 17.alpha.-Ethynyl-17.beta.-hydroxy-3-oxo-.DELTA.5(10)-estrene
    • 17-Ethynyl-17-hydroxyestr-.DELTA.5(10)-en-3-one, (17.alpha.,17.beta.)-
    • ICTXHFFSOAJUMG-ZWQJFZRQSA-N

  • Applications

    17-beta-Hydroxy-17-alpha-ethinyl-5(10)-estren-3-one is primarily used as a pharmaceutical intermediate for the synthesis of estrogenic hormones and related agents, including contraceptives and hormone replacement therapies; it also serves as a steroid-building block in chemical manufacturing, enabling the derivatization to related estrogens and progestins; in research and development, it is used for steroid chemistry studies and process development, and in industrial manufacturing it functions as a precursor in hormone-related product pipelines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 34.04
    methanol 85.28
    isopropanol 24.53
    water 0.63
    ethyl acetate 73.21
    n-propanol 31.06
    acetone 74.28
    n-butanol 27.35
    acetonitrile 39.13
    DMF 255.32
    toluene 61.06
    isobutanol 17.04
    1,4-dioxane 156.99
    methyl acetate 48.84
    THF 294.18
    2-butanone 50.55
    n-pentanol 11.53
    sec-butanol 7.56
    n-hexane 0.5
    ethylene glycol 20.65
    NMP 59.85
    cyclohexane 2.08
    DMSO 116.42
    n-butyl acetate 45.08
    n-octanol 7.84
    chloroform 190.43
    n-propyl acetate 41.22
    acetic acid 52.52
    dichloromethane 125.58
    cyclohexanone 104.22
    propylene glycol 13.09
    isopropyl acetate 85.46
    DMAc 113.33
    2-ethoxyethanol 54.27
    isopentanol 23.89
    n-heptane 0.83
    ethyl formate 44.83
    1,2-dichloroethane 71.92
    n-hexanol 20.95
    2-methoxyethanol 140.32
    isobutyl acetate 35.12
    tetrachloromethane 19.2
    n-pentyl acetate 33.06
    transcutol 261.13
    n-heptanol 14.93
    ethylbenzene 17.48
    MIBK 60.09
    2-propoxyethanol 100.92
    tert-butanol 22.33
    MTBE 9.93
    2-butoxyethanol 57.06
    propionic acid 32.72
    o-xylene 24.33
    formic acid 45.68
    diethyl ether 27.65
    m-xylene 38.13
    p-xylene 21.27
    chlorobenzene 66.24
    dimethyl carbonate 81.14
    n-octane 0.47
    formamide 82.57
    cyclopentanone 139.91
    2-pentanone 63.46
    anisole 63.35
    cyclopentyl methyl ether 54.93
    gamma-butyrolactone 152.04
    1-methoxy-2-propanol 112.48
    pyridine 124.45
    3-pentanone 44.75
    furfural 165.91
    n-dodecane 0.5
    diethylene glycol 109.24
    diisopropyl ether 10.9
    tert-amyl alcohol 7.17
    acetylacetone 171.74
    n-hexadecane 0.62
    acetophenone 63.76
    methyl propionate 63.88
    isopentyl acetate 50.36
    trichloroethylene 176.57
    n-nonanol 9.93
    cyclohexanol 19.78
    benzyl alcohol 45.93
    2-ethylhexanol 13.2
    isooctanol 13.56
    dipropyl ether 19.84
    1,2-dichlorobenzene 63.83
    ethyl lactate 36.51
    propylene carbonate 86.69
    n-methylformamide 105.4
    2-pentanol 12.07
    n-pentane 0.79
    1-propoxy-2-propanol 60.41
    1-methoxy-2-propyl acetate 114.82
    2-(2-methoxypropoxy) propanol 58.14
    mesitylene 21.24
    ε-caprolactone 81.25
    p-cymene 12.83
    epichlorohydrin 191.74
    1,1,1-trichloroethane 59.86
    2-aminoethanol 33.12
    morpholine-4-carbaldehyde 161.81
    sulfolane 133.73
    2,2,4-trimethylpentane 0.51
    2-methyltetrahydrofuran 42.93
    n-hexyl acetate 33.93
    isooctane 0.9
    2-(2-butoxyethoxy)ethanol 78.86
    sec-butyl acetate 35.18
    tert-butyl acetate 83.07
    decalin 1.53
    glycerin 45.24
    diglyme 182.38
    acrylic acid 41.38
    isopropyl myristate 17.88
    n-butyric acid 66.85
    acetyl acetate 96.55
    di(2-ethylhexyl) phthalate 25.94
    ethyl propionate 47.47
    nitromethane 143.58
    1,2-diethoxyethane 58.05
    benzonitrile 69.22
    trioctyl phosphate 16.52
    1-bromopropane 20.82
    gamma-valerolactone 235.68
    n-decanol 7.41
    triethyl phosphate 29.38
    4-methyl-2-pentanol 14.71
    propionitrile 51.14
    vinylene carbonate 113.01
    1,1,2-trichlorotrifluoroethane 121.24
    DMS 70.53
    cumene 12.28
    2-octanol 7.22
    2-hexanone 29.61
    octyl acetate 20.16
    limonene 12.51
    1,2-dimethoxyethane 122.77
    ethyl orthosilicate 26.06
    tributyl phosphate 19.73
    diacetone alcohol 73.04
    N,N-dimethylaniline 34.15
    acrylonitrile 86.05
    aniline 61.57
    1,3-propanediol 57.22
    bromobenzene 67.04
    dibromomethane 61.27
    1,1,2,2-tetrachloroethane 122.34
    2-methyl-cyclohexyl acetate 37.1
    tetrabutyl urea 26.77
    diisobutyl methanol 11.83
    2-phenylethanol 54.07
    styrene 23.35
    dioctyl adipate 31.26
    dimethyl sulfate 105.3
    ethyl butyrate 44.74
    methyl lactate 61.2
    butyl lactate 38.61
    diethyl carbonate 38.41
    propanediol butyl ether 42.27
    triethyl orthoformate 37.67
    p-tert-butyltoluene 12.07
    methyl 4-tert-butylbenzoate 62.44
    morpholine 129.46
    tert-butylamine 10.24
    n-dodecanol 5.53
    dimethoxymethane 224.0
    ethylene carbonate 94.65
    cyrene 65.9
    2-ethoxyethyl acetate 76.65
    2-ethylhexyl acetate 34.49
    1,2,4-trichlorobenzene 70.97
    4-methylpyridine 98.49
    dibutyl ether 11.15
    2,6-dimethyl-4-heptanol 11.83
    DEF 60.44
    dimethyl isosorbide 112.97
    tetrachloroethylene 85.19
    eugenol 65.34
    triacetin 72.03
    span 80 42.18
    1,4-butanediol 15.42
    1,1-dichloroethane 55.25
    2-methyl-1-pentanol 11.05
    methyl formate 83.22
    2-methyl-1-butanol 12.93
    n-decane 0.84
    butyronitrile 40.57
    3,7-dimethyl-1-octanol 11.26
    1-chlorooctane 4.75
    1-chlorotetradecane 2.34
    n-nonane 0.63
    undecane 0.63
    tert-butylcyclohexane 1.32
    cyclooctane 0.91
    cyclopentanol 19.32
    tetrahydropyran 67.86
    tert-amyl methyl ether 7.79
    2,5,8-trioxanonane 113.43
    1-hexene 2.88
    2-isopropoxyethanol 36.25
    2,2,2-trifluoroethanol 40.35
    methyl butyrate 51.21

    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