4-Acetoxy-4-androstene-3,17-dione

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  • Identifiers

    CAS number
    61630-32-8

    Molecular formula
    C21H28O4

    SMILES
    CC(=O)OC1=C2CC[C@H]3[C@@H]4CCC(=O)[C@]4(CC[C@@H]3[C@]2(CCC1=O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 72.44%
    Fruity 43.09%
    Cedar 41.6%
    Herbal 30.51%
    Fresh 30.35%
    Dry 30.29%
    Tobacco 29.37%
    Mint 28.79%
    Amber 28.38%
    Camphoreous 27.3%

     

    Flavor
    Bitter 41.92%
    Minty 31.1%
    Coumarin 24.37%
    Sweet 24.05%
    Ripe apricot 22.17%
    Red fruit 21.72%
    Fenugreek 21.36%
    Powdery 21.3%
    Lovage 21.3%
    Leaves 21.16%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    5.86 (weak acid)

    Molecular weight
    344.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    446°C

    Flash point

    • 208.79 ˚C est.

  • Synonyms

    • 4-Acetoxy-4-androstene-3,17-dione
    • 61630-32-8
    • 4-(Acetyloxy)androst-4-ene-3,17-dione
    • DTXSID00210647
    • RefChem:912286
    • DTXCID30133138
    • 4-Androsten-4-ol-3,17-dione acetate
    • [(8R,9S,10R,13S,14S)-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
    • 3,17-dioxoandrost-4-en-4-yl acetate
    • BRN 5126061
    • Androst-4-ene-3,17-dione, 4-(acetyloxy)-
    • SCHEMBL1553350
    • CHEMBL5280814
    • ANDROST-4-ENE-3,17-DIONE, 4-HYDROXY-, ACETATE (ester)
    • NS00123289
    • 61630-32-8

  • Applications

    4-Acetoxy-4-androstene-3,17-dione (CAS 61630-32-8) is a steroidal intermediate primarily used in pharmaceutical manufacturing for the synthesis of steroid hormones; it also serves as a building block in steroid chemistry, enabling transformations to other steroid compounds downstream; in research and development settings, it is used as a starting material for developing and optimizing steroid synthetic routes; additionally, it may be supplied to contract manufacturers and industrial labs for custom synthesis of steroid derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.46
    methanol 17.05
    isopropanol 15.97
    water 0.14
    ethyl acetate 33.37
    n-propanol 18.24
    acetone 40.81
    n-butanol 17.42
    acetonitrile 20.09
    DMF 68.34
    toluene 70.61
    isobutanol 12.01
    1,4-dioxane 74.62
    methyl acetate 25.74
    THF 107.06
    2-butanone 36.91
    n-pentanol 7.64
    sec-butanol 5.9
    n-hexane 0.16
    ethylene glycol 4.57
    NMP 45.03
    cyclohexane 1.37
    DMSO 41.86
    n-butyl acetate 21.87
    n-octanol 2.88
    chloroform 174.01
    n-propyl acetate 18.58
    acetic acid 25.95
    dichloromethane 100.53
    cyclohexanone 73.93
    propylene glycol 4.0
    isopropyl acetate 30.44
    DMAc 60.57
    2-ethoxyethanol 23.13
    isopentanol 14.68
    n-heptane 0.13
    ethyl formate 15.52
    1,2-dichloroethane 47.88
    n-hexanol 11.01
    2-methoxyethanol 48.84
    isobutyl acetate 17.14
    tetrachloromethane 12.3
    n-pentyl acetate 15.39
    transcutol 58.75
    n-heptanol 6.1
    ethylbenzene 15.2
    MIBK 25.29
    2-propoxyethanol 55.7
    tert-butanol 13.6
    MTBE 5.18
    2-butoxyethanol 26.92
    propionic acid 16.48
    o-xylene 22.78
    formic acid 12.44
    diethyl ether 11.11
    m-xylene 28.52
    p-xylene 20.01
    chlorobenzene 57.3
    dimethyl carbonate 29.43
    n-octane 0.1
    formamide 24.63
    cyclopentanone 88.81
    2-pentanone 32.97
    anisole 32.63
    cyclopentyl methyl ether 26.93
    gamma-butyrolactone 83.52
    1-methoxy-2-propanol 41.15
    pyridine 114.64
    3-pentanone 26.37
    furfural 89.66
    n-dodecane 0.12
    diethylene glycol 45.63
    diisopropyl ether 3.4
    tert-amyl alcohol 4.46
    acetylacetone 61.46
    n-hexadecane 0.15
    acetophenone 37.84
    methyl propionate 32.17
    isopentyl acetate 26.19
    trichloroethylene 137.22
    n-nonanol 3.8
    cyclohexanol 15.46
    benzyl alcohol 35.67
    2-ethylhexanol 5.46
    isooctanol 5.64
    dipropyl ether 4.62
    1,2-dichlorobenzene 45.45
    ethyl lactate 15.06
    propylene carbonate 42.11
    n-methylformamide 31.72
    2-pentanol 6.68
    n-pentane 0.24
    1-propoxy-2-propanol 28.82
    1-methoxy-2-propyl acetate 47.55
    2-(2-methoxypropoxy) propanol 25.16
    mesitylene 11.81
    ε-caprolactone 53.66
    p-cymene 6.42
    epichlorohydrin 90.01
    1,1,1-trichloroethane 42.44
    2-aminoethanol 10.72
    morpholine-4-carbaldehyde 82.27
    sulfolane 71.69
    2,2,4-trimethylpentane 0.21
    2-methyltetrahydrofuran 27.88
    n-hexyl acetate 15.18
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 29.39
    sec-butyl acetate 15.28
    tert-butyl acetate 26.8
    decalin 0.76
    glycerin 12.2
    diglyme 59.26
    acrylic acid 18.9
    isopropyl myristate 6.96
    n-butyric acid 34.29
    acetyl acetate 36.74
    di(2-ethylhexyl) phthalate 14.54
    ethyl propionate 19.73
    nitromethane 52.93
    1,2-diethoxyethane 16.19
    benzonitrile 45.78
    trioctyl phosphate 7.6
    1-bromopropane 14.77
    gamma-valerolactone 129.4
    n-decanol 2.67
    triethyl phosphate 12.45
    4-methyl-2-pentanol 6.56
    propionitrile 28.92
    vinylene carbonate 53.96
    1,1,2-trichlorotrifluoroethane 57.99
    DMS 30.75
    cumene 7.44
    2-octanol 2.76
    2-hexanone 16.51
    octyl acetate 8.24
    limonene 5.47
    1,2-dimethoxyethane 41.5
    ethyl orthosilicate 11.71
    tributyl phosphate 8.31
    diacetone alcohol 30.24
    N,N-dimethylaniline 17.57
    acrylonitrile 43.34
    aniline 68.14
    1,3-propanediol 26.7
    bromobenzene 57.56
    dibromomethane 53.7
    1,1,2,2-tetrachloroethane 95.21
    2-methyl-cyclohexyl acetate 19.57
    tetrabutyl urea 11.99
    diisobutyl methanol 4.26
    2-phenylethanol 41.08
    styrene 19.14
    dioctyl adipate 14.05
    dimethyl sulfate 38.7
    ethyl butyrate 17.13
    methyl lactate 22.77
    butyl lactate 17.0
    diethyl carbonate 14.82
    propanediol butyl ether 14.54
    triethyl orthoformate 15.22
    p-tert-butyltoluene 5.9
    methyl 4-tert-butylbenzoate 30.97
    morpholine 64.17
    tert-butylamine 4.8
    n-dodecanol 1.83
    dimethoxymethane 68.51
    ethylene carbonate 43.74
    cyrene 36.64
    2-ethoxyethyl acetate 31.98
    2-ethylhexyl acetate 18.25
    1,2,4-trichlorobenzene 57.25
    4-methylpyridine 100.23
    dibutyl ether 3.13
    2,6-dimethyl-4-heptanol 4.26
    DEF 26.62
    dimethyl isosorbide 52.86
    tetrachloroethylene 61.98
    eugenol 35.29
    triacetin 28.84
    span 80 18.28
    1,4-butanediol 7.49
    1,1-dichloroethane 40.34
    2-methyl-1-pentanol 7.06
    methyl formate 22.46
    2-methyl-1-butanol 8.89
    n-decane 0.21
    butyronitrile 21.47
    3,7-dimethyl-1-octanol 4.22
    1-chlorooctane 1.58
    1-chlorotetradecane 0.65
    n-nonane 0.14
    undecane 0.15
    tert-butylcyclohexane 0.47
    cyclooctane 0.34
    cyclopentanol 15.46
    tetrahydropyran 44.41
    tert-amyl methyl ether 3.86
    2,5,8-trioxanonane 41.33
    1-hexene 1.31
    2-isopropoxyethanol 16.49
    2,2,2-trifluoroethanol 16.24
    methyl butyrate 21.41

    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