11beta-Hydroxyandrosterone

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  • Identifiers

    CAS number
    57-61-4

    Molecular formula
    C19H30O3

    SMILES
    C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC4=O)C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 67.94%
    Herbal 50.34%
    Mint 45.08%
    Camphoreous 44.44%
    Spicy 39.75%
    Balsamic 37.59%
    Earthy 36.51%
    Fresh 34.83%
    Sweet 34.73%
    Cooling 33.65%

     

    Flavor
    Bitter 46.39%
    Minty 37.29%
    Herbal 31.91%
    Spicy 24.96%
    Camphor 24.25%
    Earthy 23.78%
    Fresh 23.47%
    Beet 23.26%
    Fruit 23.09%
    Cedarleaf 22.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.0 (neutral)

    Molecular weight
    306.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    342°C

    Flash point

    • 215.26 ˚C est.

  • Synonyms

    • 57-61-4
    • 11beta-Hydroxyandrosterone
    • 0JYD539GC3
    • DTXSID301018932
    • 3alpha,11beta-Dihydroxy-5alpha-androstane-17-one
    • NSC-56288
    • BA-2685
    • Androstan-17-one, 3,11-dihydroxy-, (3alpha,5alpha,11beta)-
    • RefChem:1057387
    • DTXCID801476945
    • 11-beta-Hydroxyandrosterone
    • 11-Hydroxyetiocholanolone
    • 11-Hydroxyandrosterone
    • 11|A-Hydroxyandrosterone
    • (3R,5S,8S,9S,10S,11S,13S,14S)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
    • 11 beta-hydroxyandrosterone
    • 11.beta.-Hydroxyandrosterone
    • 3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
    • 11-?-HYDROXYANDROSTERONE
    • Androstan-17-one, 3,11-dihydroxy-, (3.alpha.,5.alpha.,11.beta.)-
    • 11-.beta.-Hydroxyandrosterone
    • UNII-0JYD539GC3
    • 3,11-Dihydroxyandrostan-17-one #
    • NSC 56288
    • 11-hydroxy-androsterone
    • 11-|A-Hydroxyandrosterone
    • 11beta-hydroxy-androsterone
    • 3alpha,11beta-dihydroxy-5alpha-androstan-17-one
    • 11-OXYETIOCHOLANOLONE
    • orb1983461
    • SCHEMBL3362889
    • CHEMBL1908033
    • CHEBI:34350
    • 11.BETA.-OH-ANDROSTERONE
    • PIXFHVWJOVNKQK-PTXZMSDUSA-N
    • LMST02020086
    • MFCD00003617
    • MSK000650-100A
    • MS-24441
    • PD199248
    • HY-113351
    • 5alpha-Androstan-3alpha,11beta-diol-17-one
    • CS-0062274
    • 3alpha,11-Dihydroxy-5alpha-androstan-17-one
    • G12039
    • 11-|A inverted exclamation mark-Hydroxyandrosterone
    • 5.alpha.-Androstan-3.alpha.,11.beta.-diol-17-one
    • Q27116006
    • 11-beta-Hydroxyandrosterone Solution in Acetonitrile, 100ug/mL
    • 5.ALPHA.-ANDROSTANE-3.ALPHA.,11.BETA.-DIOL-17-ONE
    • 3.ALPHA.,11.BETA.-DIHYDROXY-5.ALPHA.-ANDROSTAN-17-ONE
    • 3.ALPHA.,11.BETA.-DIHYDROXY-5.ALPHA.-ANDROSTANE-17-ONE
    • 5.ALPHA.-ANDROSTAN-17-ONE, 3.ALPHA.,11.BETA.-DIHYDROXY-
    • 57-61-4

  • Applications

    11beta-Hydroxyandrosterone (CAS 57-61-4) is a steroid synthesis intermediate, acting as a precursor for related steroids and pharmaceutical derivatives. It also serves as a building block in steroid chemistry, enabling structural modifications of steroid frameworks. In analytical chemistry, it is used as a reference standard for LC-MS/GC-MS methods to quantify steroid metabolites in biological samples. In research and development, it supports studies of steroid metabolism and 11-position hydroxylation, and is used to explore related transformation pathways in steroid chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 54.53
    methanol 121.95
    isopropanol 42.99
    water 2.11
    ethyl acetate 39.59
    n-propanol 44.08
    acetone 78.03
    n-butanol 41.65
    acetonitrile 38.53
    DMF 104.74
    toluene 35.75
    isobutanol 21.07
    1,4-dioxane 127.8
    methyl acetate 24.99
    THF 259.96
    2-butanone 29.54
    n-pentanol 9.12
    sec-butanol 6.0
    n-hexane 0.3
    ethylene glycol 19.44
    NMP 22.04
    cyclohexane 1.77
    DMSO 120.95
    n-butyl acetate 30.77
    n-octanol 9.45
    chloroform 105.68
    n-propyl acetate 19.36
    acetic acid 49.18
    dichloromethane 58.12
    cyclohexanone 61.11
    propylene glycol 10.93
    isopropyl acetate 43.62
    DMAc 44.75
    2-ethoxyethanol 45.65
    isopentanol 29.17
    n-heptane 0.53
    ethyl formate 29.18
    1,2-dichloroethane 38.05
    n-hexanol 23.29
    2-methoxyethanol 135.02
    isobutyl acetate 19.84
    tetrachloromethane 14.14
    n-pentyl acetate 26.83
    transcutol 139.26
    n-heptanol 18.13
    ethylbenzene 9.96
    MIBK 38.9
    2-propoxyethanol 98.99
    tert-butanol 33.88
    MTBE 10.03
    2-butoxyethanol 58.55
    propionic acid 20.16
    o-xylene 16.02
    formic acid 43.79
    diethyl ether 22.18
    m-xylene 25.54
    p-xylene 12.48
    chlorobenzene 34.02
    dimethyl carbonate 33.8
    n-octane 0.4
    formamide 69.27
    cyclopentanone 91.28
    2-pentanone 41.74
    anisole 29.51
    cyclopentyl methyl ether 37.54
    gamma-butyrolactone 83.97
    1-methoxy-2-propanol 101.63
    pyridine 77.72
    3-pentanone 22.27
    furfural 84.99
    n-dodecane 0.36
    diethylene glycol 97.39
    diisopropyl ether 7.06
    tert-amyl alcohol 6.24
    acetylacetone 83.34
    n-hexadecane 0.45
    acetophenone 30.93
    methyl propionate 29.58
    isopentyl acetate 36.0
    trichloroethylene 82.41
    n-nonanol 11.02
    cyclohexanol 17.56
    benzyl alcohol 30.5
    2-ethylhexanol 11.04
    isooctanol 14.57
    dipropyl ether 11.43
    1,2-dichlorobenzene 29.88
    ethyl lactate 21.21
    propylene carbonate 42.15
    n-methylformamide 76.79
    2-pentanol 11.33
    n-pentane 0.58
    1-propoxy-2-propanol 55.42
    1-methoxy-2-propyl acetate 67.83
    2-(2-methoxypropoxy) propanol 40.37
    mesitylene 13.8
    ε-caprolactone 43.09
    p-cymene 8.88
    epichlorohydrin 92.65
    1,1,1-trichloroethane 30.37
    2-aminoethanol 35.79
    morpholine-4-carbaldehyde 75.69
    sulfolane 73.27
    2,2,4-trimethylpentane 0.34
    2-methyltetrahydrofuran 30.95
    n-hexyl acetate 25.73
    isooctane 0.62
    2-(2-butoxyethoxy)ethanol 59.59
    sec-butyl acetate 15.37
    tert-butyl acetate 42.67
    decalin 0.95
    glycerin 37.7
    diglyme 120.26
    acrylic acid 25.55
    isopropyl myristate 11.17
    n-butyric acid 50.75
    acetyl acetate 46.2
    di(2-ethylhexyl) phthalate 17.64
    ethyl propionate 20.06
    nitromethane 92.93
    1,2-diethoxyethane 32.93
    benzonitrile 39.47
    trioctyl phosphate 13.28
    1-bromopropane 11.27
    gamma-valerolactone 138.75
    n-decanol 7.43
    triethyl phosphate 15.19
    4-methyl-2-pentanol 13.1
    propionitrile 34.42
    vinylene carbonate 54.76
    1,1,2-trichlorotrifluoroethane 69.06
    DMS 31.7
    cumene 7.19
    2-octanol 7.75
    2-hexanone 15.43
    octyl acetate 13.23
    limonene 8.08
    1,2-dimethoxyethane 78.39
    ethyl orthosilicate 14.4
    tributyl phosphate 12.58
    diacetone alcohol 47.3
    N,N-dimethylaniline 17.61
    acrylonitrile 55.79
    aniline 43.82
    1,3-propanediol 72.43
    bromobenzene 30.03
    dibromomethane 32.12
    1,1,2,2-tetrachloroethane 57.95
    2-methyl-cyclohexyl acetate 21.94
    tetrabutyl urea 16.07
    diisobutyl methanol 9.29
    2-phenylethanol 44.76
    styrene 11.24
    dioctyl adipate 17.41
    dimethyl sulfate 43.84
    ethyl butyrate 22.23
    methyl lactate 32.5
    butyl lactate 30.43
    diethyl carbonate 17.6
    propanediol butyl ether 36.64
    triethyl orthoformate 20.93
    p-tert-butyltoluene 9.09
    methyl 4-tert-butylbenzoate 39.3
    morpholine 95.08
    tert-butylamine 12.8
    n-dodecanol 4.86
    dimethoxymethane 148.81
    ethylene carbonate 50.94
    cyrene 37.75
    2-ethoxyethyl acetate 50.8
    2-ethylhexyl acetate 22.88
    1,2,4-trichlorobenzene 32.33
    4-methylpyridine 53.65
    dibutyl ether 7.81
    2,6-dimethyl-4-heptanol 9.29
    DEF 25.41
    dimethyl isosorbide 66.72
    tetrachloroethylene 48.08
    eugenol 44.24
    triacetin 36.26
    span 80 30.52
    1,4-butanediol 13.96
    1,1-dichloroethane 30.29
    2-methyl-1-pentanol 7.49
    methyl formate 57.32
    2-methyl-1-butanol 12.59
    n-decane 0.74
    butyronitrile 33.95
    3,7-dimethyl-1-octanol 10.75
    1-chlorooctane 3.97
    1-chlorotetradecane 1.45
    n-nonane 0.56
    undecane 0.49
    tert-butylcyclohexane 0.76
    cyclooctane 0.73
    cyclopentanol 18.76
    tetrahydropyran 62.27
    tert-amyl methyl ether 5.52
    2,5,8-trioxanonane 69.0
    1-hexene 1.56
    2-isopropoxyethanol 28.3
    2,2,2-trifluoroethanol 32.78
    methyl butyrate 22.24

    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