Deoxycorticosterone

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  • Identifiers

    CAS number
    64-85-7

    Molecular formula
    C21H30O3

    SMILES
    C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Woody 78.48%
    Cedar 42.32%
    Amber 41.97%
    Dry 37.91%
    Fruity 36.19%
    Musk 33.76%
    Powdery 29.57%
    Sandalwood 29.41%
    Balsamic 29.28%
    Sweet 29.19%

     

    Flavor
    Bitter 38.91%
    Minty 22.05%
    Cedarleaf 21.13%
    Ripe apricot 21.0%
    Lovage 20.65%
    Sweet 20.5%
    Red fruit 20.49%
    Leaves 20.47%
    Fenugreek 20.46%
    Soil 20.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    6.84 (neutral)

    Molecular weight
    330.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    383°C

    Melting point expt.

    • 141 - 142 °C

    Flash point

    • 230.99 ˚C est.

    Solubility expt.

    • 0.0595 mg/mL at 37 °C

  • Synonyms

    • Desoxycortone
    • 11-Deoxycorticosterone
    • desoxycorticosterone
    • 21-Hydroxyprogesterone
    • Deoxycorticosterone
    • 64-85-7
    • Cortexone
    • Deoxycortone
    • Reichstein's substance Q
    • 11-Desoxycorticosterone
    • 4-Pregnen-21-ol-3,20-dione
    • Desossicortone
    • Kendall's desoxy compound B
    • 11-Dehydroxycorticosterone
    • Desoxycorticosteronum
    • 21-Hydroxy-4-pregnene-3,20-dione
    • Pregn-4-ene-3,20-dione, 21-hydroxy-
    • Desoxicortona
    • Desoxycortonum
    • DTXSID0045254
    • 40GP35YQ49
    • 21-hydroxy-Pregn-4-ene-3,20-dione
    • DTXCID8025254
    • CHEBI:16973
    • (8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
    • 11 Decorticosterone
    • 11-Decorticosterone
    • 21 Hydroxyprogesterone
    • (8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta(a)phenanthren-3-one
    • 21 Hydroxy 4 pregnene 3,20 dione
    • acAtate de dAsoxycortone
    • RefChem:54955
    • H02AA02
    • (1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo(8.7.0.02,7.011,15)heptadec-6-en-5-one
    • 200-596-4
    • 11-Deoxy Corticosterone
    • Desoxicortonum
    • Corticosterone, 11-deoxy-
    • Progesterone, 21-hydroxy-
    • DOC
    • 1,2(3H)-Deoxycorticosterone
    • NSC 11319
    • MFCD00003661
    • MLS000028537
    • MLS001076270
    • 21-Hydroxy-3,20-dioxopregn-4-ene
    • Desoxycortone (INN)
    • SMR000058340
    • DESOXYCORTONE [INN]
    • Desossicortone [DCIT]
    • [4-14C]-11-deoxycorticosterone
    • Desoxycortonum [INN-Latin]
    • Desoxicortona [INN-Spanish]
    • 1CA
    • 11-deoxy-Corticosterone
    • EINECS 200-596-4
    • Desoxycortone [INN:BAN]
    • Deoxycortone;
    • Ormosurrenol;
    • UNII-40GP35YQ49
    • Corthormon;
    • Cortexone;
    • Decortene;
    • Ocriten;
    • Desoxycorticosteron
    • 'Reichstein Q'
    • CAS-64-85-7
    • NCGC00016292-01
    • Deoxycorticosterone?
    • 11-Dcortic
    • Cortexon;Corticormon;
    • DOCA (Salt/Mix)
    • Opera_ID_581
    • 21-hydroxy-Progesterone
    • Prestwick0_000957
    • Prestwick1_000957
    • Prestwick2_000957
    • Prestwick3_000957
    • bmse000535
    • SCHEMBL4065
    • CHEMBL1498
    • BSPBio_000954
    • Kendall's desoxy compound B;
    • Deoxycorticosterone (Standard)
    • DESOXYCORTONE [MART.]
    • SPBio_003103
    • DESOXYCORTONE [WHO-DD]
    • BDBM8582
    • BPBio1_001050
    • GTPL2871
    • orb1306701
    • DEOXYCORTICOSTERONE [MI]
    • hydroxy-4-pregnene-3,20-dione
    • MSK2205
    • 4-pregnene-3,20-dione-21-ol
    • HMS1570P16
    • HMS2097P16
    • HMS2235G07
    • HMS3714P16
    • D4-Pregnene-21-ol-3,20-dione
    • DESOXYCORTICOSTERONE [VANDF]
    • Tox21_110356
    • Tox21_302402
    • CMC_13409
    • LMST02030087
    • MSK2205-100A
    • Delta4-Pregnene-21-ol-3,20-dione
    • 21-Hydroxy-D4-pregnane-3,20-dione
    • 21-Hydroxy-D4-pregnene-3,20-dione
    • AKOS005111365
    • MSK2205-1000A
    • Tox21_110356_1
    • CCG-220957
    • EBC-384095
    • FD21043
    • HY-113414R
    • 21-Hydroxypregn-4-ene-3,20-dione #
    • NCGC00021304-03
    • NCGC00021304-05
    • NCGC00256184-01
    • (1S,3aS,3bS,9aR,9bS,11aS)-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
    • 21-Hydroxy-Delta4-pregnane-3,20-dione
    • 21-Hydroxy-Delta4-pregnene-3,20-dione
    • 21-Hydroxyprogesterone, >=97% (HPLC)
    • AS-77189
    • SY272200
    • HY-113414
    • 64-85-7

  • Applications

    Deoxycorticosterone (CAS 64-85-7) is primarily used as an intermediate and building block in corticosteroid synthesis for pharmaceutical applications, notably mineralocorticoids. In endocrinology and pharmacology research, it serves as a reference compound and experimental substrate for steroid studies. In analytical laboratories, it is employed as a calibration standard for steroid quantification methods (such as LC-MS and GC-MS). It is also used as a synthetic precursor in corticosteroid routes supporting drug development and exploration of endocrine pathways.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 31.22
    methanol 44.82
    isopropanol 24.71
    water 0.28
    ethyl acetate 24.92
    n-propanol 29.76
    acetone 46.67
    n-butanol 27.55
    acetonitrile 21.75
    DMF 61.8
    toluene 50.63
    isobutanol 15.63
    1,4-dioxane 80.75
    methyl acetate 15.74
    THF 140.79
    2-butanone 23.29
    n-pentanol 7.31
    sec-butanol 4.55
    n-hexane 0.23
    ethylene glycol 6.83
    NMP 17.1
    cyclohexane 1.78
    DMSO 41.8
    n-butyl acetate 17.82
    n-octanol 4.05
    chloroform 91.96
    n-propyl acetate 13.05
    acetic acid 21.38
    dichloromethane 53.42
    cyclohexanone 50.52
    propylene glycol 5.12
    isopropyl acetate 26.54
    DMAc 33.25
    2-ethoxyethanol 27.32
    isopentanol 19.66
    n-heptane 0.35
    ethyl formate 13.87
    1,2-dichloroethane 33.45
    n-hexanol 14.71
    2-methoxyethanol 77.88
    isobutyl acetate 13.09
    tetrachloromethane 10.14
    n-pentyl acetate 14.65
    transcutol 93.3
    n-heptanol 9.26
    ethylbenzene 8.86
    MIBK 26.8
    2-propoxyethanol 62.9
    tert-butanol 19.41
    MTBE 6.1
    2-butoxyethanol 34.72
    propionic acid 10.66
    o-xylene 15.9
    formic acid 12.8
    diethyl ether 16.91
    m-xylene 25.88
    p-xylene 10.81
    chlorobenzene 30.01
    dimethyl carbonate 20.72
    n-octane 0.21
    formamide 25.05
    cyclopentanone 58.92
    2-pentanone 29.77
    anisole 24.21
    cyclopentyl methyl ether 28.41
    gamma-butyrolactone 48.8
    1-methoxy-2-propanol 62.51
    pyridine 67.05
    3-pentanone 19.39
    furfural 52.92
    n-dodecane 0.18
    diethylene glycol 55.08
    diisopropyl ether 4.87
    tert-amyl alcohol 3.9
    acetylacetone 52.99
    n-hexadecane 0.23
    acetophenone 23.5
    methyl propionate 21.34
    isopentyl acetate 22.04
    trichloroethylene 69.62
    n-nonanol 5.17
    cyclohexanol 13.54
    benzyl alcohol 23.65
    2-ethylhexanol 6.72
    isooctanol 8.07
    dipropyl ether 7.74
    1,2-dichlorobenzene 24.75
    ethyl lactate 12.23
    propylene carbonate 23.96
    n-methylformamide 33.14
    2-pentanol 7.48
    n-pentane 0.49
    1-propoxy-2-propanol 35.54
    1-methoxy-2-propyl acetate 45.18
    2-(2-methoxypropoxy) propanol 25.58
    mesitylene 11.73
    ε-caprolactone 30.12
    p-cymene 6.26
    epichlorohydrin 69.38
    1,1,1-trichloroethane 26.05
    2-aminoethanol 17.41
    morpholine-4-carbaldehyde 51.55
    sulfolane 41.36
    2,2,4-trimethylpentane 0.26
    2-methyltetrahydrofuran 20.64
    n-hexyl acetate 13.56
    isooctane 0.43
    2-(2-butoxyethoxy)ethanol 35.49
    sec-butyl acetate 10.83
    tert-butyl acetate 27.39
    decalin 0.75
    glycerin 16.88
    diglyme 71.71
    acrylic acid 11.69
    isopropyl myristate 6.62
    n-butyric acid 29.65
    acetyl acetate 27.2
    di(2-ethylhexyl) phthalate 11.44
    ethyl propionate 13.97
    nitromethane 39.49
    1,2-diethoxyethane 21.7
    benzonitrile 28.74
    trioctyl phosphate 7.34
    1-bromopropane 11.19
    gamma-valerolactone 96.38
    n-decanol 3.52
    triethyl phosphate 10.02
    4-methyl-2-pentanol 8.45
    propionitrile 27.38
    vinylene carbonate 31.34
    1,1,2-trichlorotrifluoroethane 39.91
    DMS 20.54
    cumene 5.57
    2-octanol 3.63
    2-hexanone 11.58
    octyl acetate 7.4
    limonene 5.9
    1,2-dimethoxyethane 44.5
    ethyl orthosilicate 9.89
    tributyl phosphate 7.19
    diacetone alcohol 31.42
    N,N-dimethylaniline 14.02
    acrylonitrile 37.47
    aniline 42.86
    1,3-propanediol 43.2
    bromobenzene 29.12
    dibromomethane 32.4
    1,1,2,2-tetrachloroethane 50.09
    2-methyl-cyclohexyl acetate 15.77
    tetrabutyl urea 10.46
    diisobutyl methanol 5.74
    2-phenylethanol 32.38
    styrene 10.7
    dioctyl adipate 11.49
    dimethyl sulfate 24.73
    ethyl butyrate 14.52
    methyl lactate 19.83
    butyl lactate 17.73
    diethyl carbonate 11.41
    propanediol butyl ether 19.02
    triethyl orthoformate 14.4
    p-tert-butyltoluene 6.26
    methyl 4-tert-butylbenzoate 27.41
    morpholine 68.82
    tert-butylamine 7.84
    n-dodecanol 2.39
    dimethoxymethane 91.59
    ethylene carbonate 28.77
    cyrene 27.2
    2-ethoxyethyl acetate 31.42
    2-ethylhexyl acetate 14.28
    1,2,4-trichlorobenzene 29.08
    4-methylpyridine 51.38
    dibutyl ether 4.16
    2,6-dimethyl-4-heptanol 5.74
    DEF 18.42
    dimethyl isosorbide 47.2
    tetrachloroethylene 35.35
    eugenol 30.26
    triacetin 23.42
    span 80 18.73
    1,4-butanediol 8.47
    1,1-dichloroethane 27.49
    2-methyl-1-pentanol 5.85
    methyl formate 21.6
    2-methyl-1-butanol 9.34
    n-decane 0.37
    butyronitrile 23.71
    3,7-dimethyl-1-octanol 5.48
    1-chlorooctane 1.99
    1-chlorotetradecane 0.78
    n-nonane 0.28
    undecane 0.25
    tert-butylcyclohexane 0.53
    cyclooctane 0.57
    cyclopentanol 12.13
    tetrahydropyran 46.13
    tert-amyl methyl ether 3.69
    2,5,8-trioxanonane 45.87
    1-hexene 1.3
    2-isopropoxyethanol 18.1
    2,2,2-trifluoroethanol 13.28
    methyl butyrate 15.17

    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