Deoxycorticosterone acetate

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  • Identifiers

    CAS number
    56-47-3

    Molecular formula
    C23H32O4

    SMILES
    CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Woody 79.52%
    Fruity 57.28%
    Cedar 42.7%
    Floral 38.15%
    Amber 38.05%
    Dry 36.81%
    Berry 31.8%
    Orris 30.6%
    Fresh 29.55%
    Powdery 28.96%

     

    Flavor
    Bitter 37.37%
    Fruity 30.02%
    Minty 25.63%
    Sweet 25.25%
    Fruit 21.67%
    Ripe apricot 21.24%
    Plant 20.88%
    Red fruit 20.85%
    Toffee 20.66%
    Cedarleaf 20.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.25 (neutral)

    Molecular weight
    372.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    486°C

    Flash point

    • 231.64 ˚C est.

  • Synonyms

    • Deoxycorticosterone acetate
    • 56-47-3
    • DESOXYCORTICOSTERONE ACETATE
    • DOCA
    • Percotol
    • Cortigen
    • 11-Deoxycorticosterone acetate
    • Decorton
    • 21-Acetoxypregn-4-ene-3,20-dione
    • Desoxycorticosterone-21-acetate
    • DTXSID6022894
    • 6E0A168OB8
    • NSC-9567
    • DTXCID102894
    • Desoxycorticosterone acetate (USP)
    • Desoxycorticosterone acetate [USP]
    • DOC 21 acetate
    • DOC-21-acetate
    • Acetate, Desoxycortone
    • Deoxycorticosterone 21 acetate
    • deoxycorticosterone-21-acetate
    • Desoxycorticosterone 21 acetate
    • RefChem:54953
    • 200-275-9
    • NSC-11319
    • Desoxycortone acetate
    • Cortexone acetate
    • Decosterone
    • Sincortex
    • Pregn-4-ene-3,20-dione, 21-(acetyloxy)-
    • Decosteron
    • Descorterone
    • Dorcostrin
    • Primocortan
    • Cortenil
    • Cortesan
    • Cortifar
    • Cortiron
    • Cortivis
    • Cortixyl
    • Ocriten
    • Primocort
    • Syncorta
    • Syncortyl
    • Unidocan
    • Deoxycortone acetate
    • DOC acetate
    • Cortacet
    • Cortinaq
    • Decorten
    • Decostrate
    • Descornaq
    • Docaquosum
    • Doxatone
    • Doxycamon
    • Krinocorts
    • Mincortid
    • Ocritena
    • Arcort
    • Steraq
    • Doca acetate
    • Bio-Corten
    • Doc-Ac
    • 21-(acetyloxy)-pregn-4-ene-3,20-dione
    • 3,20-Dioxopregn-4-en-21-yl acetate
    • Organon's doca acetate
    • Syncort
    • 21-Acetoxy-3,20-diketopregn-4-ene
    • 11-Deoxycorticosterone 21-acetate
    • Deoxy Corticosterone Acetate
    • MFCD00003660
    • Deoxycorticosterone 21-acetate
    • 11-Desoxycorticosterone acetate
    • Corticosterone, deoxy-, acetate
    • 4-Pregnene-3,20-dione-21-ol acetate
    • 4-Pregnene-3,20-dione 21-acetate
    • DOXO
    • 21-Hydroxypregn-4-ene-3,20-dione 21-acetate
    • Pregn-4-ene-3,20-dione, 21-hydroxy-, acetate
    • Descotone
    • MLS000028509
    • Deoxycorticosterone acetate (Standard)
    • 2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
    • NCGC00022043-04
    • Desoxykorton
    • Cortormon
    • Percortene
    • SMR000058339
    • ST075186
    • [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
    • 11-Deoxycorticosterone, acetate
    • CAS-56-47-3
    • 2-((1S,10S,11S,14S,15S,2R)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0<2,7>.0<11,15> ]heptadec-6-en-14-yl)-2-oxoethyl acetate
    • CCRIS 7517
    • Deoxycorticosterone (acetate)
    • NSC 9567
    • EINECS 200-275-9
    • 21-Acetyloxypregn-4-ene-3,20-dione
    • BRN 2570798
    • 11-Deoxycorticosterone acetate;DOC acetate;Cortexone acetate
    • UNII-6E0A168OB8
    • [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
    • 21-Acetoxypregn-4-en-3,20-dione
    • 21-Acetoxy-4-pregnene-3,20-dione
    • Doca (TN)
    • Opera_ID_47
    • Desoxycortone acetate CRS
    • SCHEMBL4169
    • 4-08-00-02195 (Beilstein Handbook Reference)
    • MLS001074065
    • MEGxm0_000470
    • orb1304604
    • orb3025708
    • CHEMBL1200542
    • NIOSH/TU5076000
    • ACon1_002189
    • CHEBI:34671
    • HY-B1472R
    • Deoxycorticosterone acetate, 98%
    • MSK1613
    • HMS2230B14
    • HY-B1472
    • Tox21_110876
    • EBC-26835
    • MSK1613-100A
    • s4243
    • SBB080582
    • 56-47-3

  • Applications

    Deoxycorticosterone acetate is used primarily as a pharmaceutical intermediate and research chemical: it serves as a precursor in the synthesis of corticosteroids and related mineralocorticoids; it is employed in pharmacology and physiology studies as a mineralocorticoid hormone, including animal models that mimic mineralocorticoid effects, such as the DOCA-salt hypertension model; it functions as an analytical reference standard for steroid quantification in chromatography; and the acetate ester form is used to modulate lipophilicity and pharmacokinetic properties during synthesis and formulation development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.82
    methanol 14.8
    isopropanol 19.63
    water 0.08
    ethyl acetate 49.48
    n-propanol 28.74
    acetone 54.69
    n-butanol 24.52
    acetonitrile 24.62
    DMF 76.12
    toluene 67.7
    isobutanol 16.41
    1,4-dioxane 100.19
    methyl acetate 30.92
    THF 179.02
    2-butanone 45.13
    n-pentanol 9.99
    sec-butanol 9.18
    n-hexane 0.33
    ethylene glycol 4.2
    NMP 54.5
    cyclohexane 2.96
    DMSO 57.98
    n-butyl acetate 22.79
    n-octanol 2.76
    chloroform 249.19
    n-propyl acetate 19.79
    acetic acid 35.75
    dichloromethane 140.66
    cyclohexanone 82.97
    propylene glycol 5.46
    isopropyl acetate 35.75
    DMAc 81.73
    2-ethoxyethanol 32.91
    isopentanol 17.65
    n-heptane 0.23
    ethyl formate 18.29
    1,2-dichloroethane 70.33
    n-hexanol 12.69
    2-methoxyethanol 64.57
    isobutyl acetate 15.58
    tetrachloromethane 15.89
    n-pentyl acetate 12.85
    transcutol 105.06
    n-heptanol 5.95
    ethylbenzene 12.37
    MIBK 26.06
    2-propoxyethanol 65.81
    tert-butanol 16.14
    MTBE 8.17
    2-butoxyethanol 28.69
    propionic acid 20.25
    o-xylene 19.92
    formic acid 13.85
    diethyl ether 23.15
    m-xylene 25.55
    p-xylene 14.7
    chlorobenzene 55.66
    dimethyl carbonate 31.85
    n-octane 0.12
    formamide 25.92
    cyclopentanone 97.92
    2-pentanone 43.65
    anisole 36.47
    cyclopentyl methyl ether 41.84
    gamma-butyrolactone 93.41
    1-methoxy-2-propanol 62.08
    pyridine 112.19
    3-pentanone 36.08
    furfural 84.68
    n-dodecane 0.11
    diethylene glycol 47.27
    diisopropyl ether 4.86
    tert-amyl alcohol 6.35
    acetylacetone 69.96
    n-hexadecane 0.15
    acetophenone 34.24
    methyl propionate 43.5
    isopentyl acetate 24.72
    trichloroethylene 178.87
    n-nonanol 3.58
    cyclohexanol 20.71
    benzyl alcohol 32.82
    2-ethylhexanol 5.54
    isooctanol 5.12
    dipropyl ether 7.64
    1,2-dichlorobenzene 42.31
    ethyl lactate 14.91
    propylene carbonate 45.98
    n-methylformamide 35.13
    2-pentanol 9.13
    n-pentane 0.58
    1-propoxy-2-propanol 35.33
    1-methoxy-2-propyl acetate 53.83
    2-(2-methoxypropoxy) propanol 27.96
    mesitylene 9.81
    ε-caprolactone 62.48
    p-cymene 5.26
    epichlorohydrin 126.85
    1,1,1-trichloroethane 56.84
    2-aminoethanol 12.41
    morpholine-4-carbaldehyde 90.95
    sulfolane 76.7
    2,2,4-trimethylpentane 0.29
    2-methyltetrahydrofuran 46.91
    n-hexyl acetate 13.07
    isooctane 0.31
    2-(2-butoxyethoxy)ethanol 36.29
    sec-butyl acetate 15.72
    tert-butyl acetate 28.17
    decalin 0.87
    glycerin 15.09
    diglyme 79.79
    acrylic acid 20.76
    isopropyl myristate 5.45
    n-butyric acid 43.96
    acetyl acetate 45.05
    di(2-ethylhexyl) phthalate 11.57
    ethyl propionate 21.87
    nitromethane 64.43
    1,2-diethoxyethane 22.9
    benzonitrile 37.37
    trioctyl phosphate 5.97
    1-bromopropane 27.08
    gamma-valerolactone 148.57
    n-decanol 2.36
    triethyl phosphate 12.19
    4-methyl-2-pentanol 7.24
    propionitrile 33.59
    vinylene carbonate 53.61
    1,1,2-trichlorotrifluoroethane 77.61
    DMS 26.8
    cumene 6.24
    2-octanol 2.37
    2-hexanone 17.85
    octyl acetate 6.64
    limonene 5.4
    1,2-dimethoxyethane 54.59
    ethyl orthosilicate 11.37
    tributyl phosphate 7.07
    diacetone alcohol 31.92
    N,N-dimethylaniline 17.66
    acrylonitrile 43.55
    aniline 71.39
    1,3-propanediol 32.07
    bromobenzene 56.45
    dibromomethane 79.53
    1,1,2,2-tetrachloroethane 136.47
    2-methyl-cyclohexyl acetate 18.52
    tetrabutyl urea 9.96
    diisobutyl methanol 4.0
    2-phenylethanol 35.84
    styrene 16.81
    dioctyl adipate 12.33
    dimethyl sulfate 44.14
    ethyl butyrate 18.05
    methyl lactate 25.94
    butyl lactate 15.62
    diethyl carbonate 14.53
    propanediol butyl ether 15.83
    triethyl orthoformate 16.31
    p-tert-butyltoluene 4.93
    methyl 4-tert-butylbenzoate 27.56
    morpholine 109.68
    tert-butylamine 6.55
    n-dodecanol 1.57
    dimethoxymethane 91.56
    ethylene carbonate 46.72
    cyrene 35.26
    2-ethoxyethyl acetate 33.77
    2-ethylhexyl acetate 16.83
    1,2,4-trichlorobenzene 57.29
    4-methylpyridine 95.89
    dibutyl ether 3.37
    2,6-dimethyl-4-heptanol 4.0
    DEF 37.54
    dimethyl isosorbide 55.41
    tetrachloroethylene 75.37
    eugenol 30.92
    triacetin 26.58
    span 80 19.57
    1,4-butanediol 8.33
    1,1-dichloroethane 62.72
    2-methyl-1-pentanol 7.82
    methyl formate 22.14
    2-methyl-1-butanol 12.14
    n-decane 0.23
    butyronitrile 25.4
    3,7-dimethyl-1-octanol 3.84
    1-chlorooctane 1.54
    1-chlorotetradecane 0.56
    n-nonane 0.17
    undecane 0.15
    tert-butylcyclohexane 0.52
    cyclooctane 0.61
    cyclopentanol 21.42
    tetrahydropyran 77.67
    tert-amyl methyl ether 6.05
    2,5,8-trioxanonane 51.37
    1-hexene 2.19
    2-isopropoxyethanol 22.01
    2,2,2-trifluoroethanol 18.64
    methyl butyrate 24.67

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
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Rinse-off products applied to the hair with some hand contact
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Category 2
Products applied to the axillae
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Leave-on products applied to the hair with some hand contact
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Category 3
Products applied to the face/body using fingertips
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Products with significant anogenital exposure
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Category 4
Products related to fine fragrance
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Products with body and hand exposure, primarily rinse off
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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
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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
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