Cortisone

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  • Identifiers

    CAS number
    53-06-5

    Molecular formula
    C21H28O5

    SMILES
    C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Woody 67.27%
    Cedar 33.9%
    Spicy 29.0%
    Sweet 27.01%
    Dry 26.8%
    Camphoreous 26.74%
    Amber 26.56%
    Mint 26.1%
    Tobacco 25.62%
    Odorless 24.04%

     

    Flavor
    Bitter 79.54%
    Sweet-like 21.47%
    Fenugreek 20.95%
    Cedarleaf 20.89%
    Leaves 20.1%
    Lovage 20.07%
    Seedy 20.02%
    Ripe apricot 19.97%
    Extremely sweet 19.92%
    Cotton candy 19.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    5.84 (weak acid)

    Molecular weight
    360.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    348°C

    Melting point expt.

    • 222 °C

    Flash point

    • 271.15 ˚C est.

    Solubility expt.

    • 0.28 mg/mL at 25 °C

  • Synonyms

    • cortisone
    • 53-06-5
    • Kendall's compound E
    • Reichstein's substance FA
    • Wintersteiner's compound F
    • 11-Dehydro-17-hydroxycorticosterone
    • 17-Hydroxy-11-dehydrocorticosterone
    • Pregn-4-ene-3,11,20-trione, 17,21-dihydroxy-
    • Cortisona
    • 17,21-Dihydroxypregn-4-ene-3,11,20-trione
    • Cortisonum
    • Kortison
    • 4-Pregnene-17alpha,21-diol-3,11,20-trione
    • 17alpha,21-Dihydroxypregn-4-ene-3,11,20-trione
    • Pregn-4-en-17alpha,21-diol-3,11,20-trione
    • 17alpha,21-Dihydroxy-4-pregnene-3,11,20-trione
    • NSC-9703
    • DTXSID5022857
    • V27W9254FZ
    • DTXCID102857
    • CHEBI:16962
    • (1S,2R,10S,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,17-dione
    • (1S,2R,10S,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadec-6-ene-5,17-dione
    • Therapeutic Cortisone
    • RefChem:5705
    • Cortisonum 30 Special Order
    • H02AB10
    • S01BA03
    • 200-162-4
    • Cortivite
    • Adrenalex
    • Andreson
    • Cortisal
    • Cortistal
    • Reichstein Fa
    • Cortandren
    • Cortison
    • NSC 9703
    • Kendall's compound
    • [3H]-cortisone
    • MFCD00003610
    • Prestwick_132
    • 17alpha-Hydroxy-11-dehydrocorticosterone
    • delta(sup4)-pregnene-17alpha,21-diol-3,11,20-trione
    • MLS000028540
    • (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
    • [3H]cortisone
    • NSC9703
    • Cortisone (INN)
    • SMR000058334
    • CORTISONE [INN]
    • 17.alpha.-Hydroxy-11-dehydrocorticosterone
    • 17,21-Dihydroxy-pregn-4-ene-3,11,20-trione
    • Hydrocortisone EP Impurity B
    • Pregn-4-ene-3,11,20-trione, 17,21-dihydroxy
    • Cortisone [INN:BAN]
    • Cortisonum [INN-Latin]
    • Cortisona [INN-Spanish]
    • (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,10,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11(2H,6H)-dione
    • EINECS 200-162-4
    • UNII-V27W9254FZ
    • AI3-52938
    • CAS-53-06-5
    • NCGC00095935-01
    • Corlin (Salt/Mix)
    • Cortisone (Standard)
    • Cortelan (Salt/Mix)
    • Ricortex (Salt/Mix)
    • Cortadren (Salt/Mix)
    • Scheroson (Salt/Mix)
    • Kendall's compound E;
    • Cortisone, >=98%
    • Opera_ID_541
    • CORTISONE [MI]
    • Prestwick0_000273
    • Prestwick1_000273
    • Prestwick2_000273
    • Prestwick3_000273
    • Spectrum5_002051
    • CORTISONE [VANDF]
    • bmse000663
    • CORTISONE [USP-RS]
    • CORTISONE [WHO-DD]
    • Reichstein's Substance Fa;
    • SCHEMBL4888
    • CHEMBL1499
    • Lopac0_000240
    • BSPBio_000146
    • MLS001076142
    • MLS001424269
    • MLS002207137
    • 17.alpha.,11,20-trione
    • SPBio_002365
    • Cortisone, 1mg/ml in Methanol
    • BPBio1_000162
    • GTPL5171
    • orb1699252
    • BDBM13739
    • MSK2228
    • Cortisone 0.1 mg/ml in Methanol
    • HMS1568H08
    • HMS2052A21
    • HMS2095H08
    • HMS2235P19
    • HMS3260P21
    • HMS3712H08
    • Tox21_111539
    • Tox21_301440
    • Tox21_500240
    • HY-17461R
    • LMST02030090
    • MSK2228-100A
    • s5869
    • 17-Hydroxy-11-dehydrocorticosterone;
    • AKOS015840096
    • AKOS015894868
    • MSK2228-1000A
    • Tox21_111539_1
    • CCG-101143
    • CS-5097
    • DB14681
    • FC20558
    • LP00240
    • NC00393
    • SDCCGSBI-0050228.P002
    • 4-Pregnene-17.alpha.,11,20-trione
    • NCGC00023939-03
    • 53-06-5

  • Applications

    In pharmaceuticals, Cortisone (CAS 53-06-5) is used as an active pharmaceutical ingredient or starting material for the synthesis of corticosteroids and anti-inflammatory/immunomodulatory agents; it also serves as a foundation for derivatives used in topical and systemic therapies for inflammatory conditions and skin disorders. In dermatology, it participates in corticosteroid formulations for inflammatory skin conditions. In research and development, Cortisone is employed as a reference compound and building block in steroid chemistry. In veterinary medicine, it can underpin corticosteroid formulations for animals to treat inflammation and allergic conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.59
    methanol 38.19
    isopropanol 8.45
    water 0.17
    ethyl acetate 5.59
    n-propanol 11.06
    acetone 17.28
    n-butanol 6.41
    acetonitrile 11.66
    DMF 64.93
    toluene 4.09
    isobutanol 4.35
    1,4-dioxane 25.92
    methyl acetate 6.01
    THF 52.31
    2-butanone 8.81
    n-pentanol 2.29
    sec-butanol 1.88
    n-hexane 0.06
    ethylene glycol 8.58
    NMP 21.42
    cyclohexane 0.26
    DMSO 73.31
    n-butyl acetate 4.6
    n-octanol 1.4
    chloroform 25.12
    n-propyl acetate 3.37
    acetic acid 17.67
    dichloromethane 13.87
    cyclohexanone 17.15
    propylene glycol 5.12
    isopropyl acetate 5.03
    DMAc 31.24
    2-ethoxyethanol 14.59
    isopentanol 4.36
    n-heptane 0.06
    ethyl formate 5.98
    1,2-dichloroethane 8.02
    n-hexanol 4.28
    2-methoxyethanol 49.35
    isobutyl acetate 2.48
    tetrachloromethane 2.58
    n-pentyl acetate 4.48
    transcutol 21.34
    n-heptanol 2.99
    ethylbenzene 1.47
    MIBK 6.34
    2-propoxyethanol 31.47
    tert-butanol 6.2
    MTBE 1.23
    2-butoxyethanol 14.51
    propionic acid 6.1
    o-xylene 2.2
    formic acid 19.41
    diethyl ether 3.34
    m-xylene 2.7
    p-xylene 1.9
    chlorobenzene 4.59
    dimethyl carbonate 10.27
    n-octane 0.05
    formamide 31.51
    cyclopentanone 28.02
    2-pentanone 7.96
    anisole 5.17
    cyclopentyl methyl ether 6.24
    gamma-butyrolactone 24.03
    1-methoxy-2-propanol 31.91
    pyridine 17.97
    3-pentanone 5.74
    furfural 24.19
    n-dodecane 0.03
    diethylene glycol 38.01
    diisopropyl ether 0.81
    tert-amyl alcohol 1.68
    acetylacetone 15.97
    n-hexadecane 0.04
    acetophenone 7.24
    methyl propionate 7.44
    isopentyl acetate 4.95
    trichloroethylene 20.21
    n-nonanol 1.75
    cyclohexanol 3.34
    benzyl alcohol 7.01
    2-ethylhexanol 1.69
    isooctanol 2.4
    dipropyl ether 1.79
    1,2-dichlorobenzene 4.66
    ethyl lactate 5.16
    propylene carbonate 9.63
    n-methylformamide 33.79
    2-pentanol 1.85
    n-pentane 0.09
    1-propoxy-2-propanol 13.45
    1-methoxy-2-propyl acetate 12.22
    2-(2-methoxypropoxy) propanol 10.93
    mesitylene 1.46
    ε-caprolactone 10.94
    p-cymene 1.13
    epichlorohydrin 28.21
    1,1,1-trichloroethane 5.38
    2-aminoethanol 14.1
    morpholine-4-carbaldehyde 37.68
    sulfolane 35.03
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 6.68
    n-hexyl acetate 4.18
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 13.39
    sec-butyl acetate 2.17
    tert-butyl acetate 5.83
    decalin 0.13
    glycerin 16.71
    diglyme 26.85
    acrylic acid 8.75
    isopropyl myristate 1.56
    n-butyric acid 9.64
    acetyl acetate 7.15
    di(2-ethylhexyl) phthalate 4.08
    ethyl propionate 3.78
    nitromethane 33.32
    1,2-diethoxyethane 4.85
    benzonitrile 7.79
    trioctyl phosphate 2.52
    1-bromopropane 2.1
    gamma-valerolactone 45.08
    n-decanol 1.03
    triethyl phosphate 3.24
    4-methyl-2-pentanol 1.94
    propionitrile 8.59
    vinylene carbonate 12.64
    1,1,2-trichlorotrifluoroethane 28.34
    DMS 6.99
    cumene 0.97
    2-octanol 1.22
    2-hexanone 3.84
    octyl acetate 2.12
    limonene 1.19
    1,2-dimethoxyethane 22.56
    ethyl orthosilicate 2.78
    tributyl phosphate 2.34
    diacetone alcohol 12.01
    N,N-dimethylaniline 3.53
    acrylonitrile 15.79
    aniline 7.18
    1,3-propanediol 21.96
    bromobenzene 3.89
    dibromomethane 6.98
    1,1,2,2-tetrachloroethane 14.15
    2-methyl-cyclohexyl acetate 4.36
    tetrabutyl urea 3.83
    diisobutyl methanol 1.3
    2-phenylethanol 9.69
    styrene 1.67
    dioctyl adipate 3.58
    dimethyl sulfate 16.68
    ethyl butyrate 3.7
    methyl lactate 12.02
    butyl lactate 6.51
    diethyl carbonate 3.07
    propanediol butyl ether 8.7
    triethyl orthoformate 3.73
    p-tert-butyltoluene 1.07
    methyl 4-tert-butylbenzoate 9.38
    morpholine 27.63
    tert-butylamine 1.7
    n-dodecanol 0.61
    dimethoxymethane 48.52
    ethylene carbonate 10.37
    cyrene 15.12
    2-ethoxyethyl acetate 9.31
    2-ethylhexyl acetate 3.36
    1,2,4-trichlorobenzene 6.23
    4-methylpyridine 11.08
    dibutyl ether 0.93
    2,6-dimethyl-4-heptanol 1.3
    DEF 8.55
    dimethyl isosorbide 18.67
    tetrachloroethylene 11.27
    eugenol 12.57
    triacetin 7.07
    span 80 7.88
    1,4-butanediol 4.89
    1,1-dichloroethane 5.31
    2-methyl-1-pentanol 1.74
    methyl formate 20.96
    2-methyl-1-butanol 2.61
    n-decane 0.08
    butyronitrile 5.79
    3,7-dimethyl-1-octanol 1.39
    1-chlorooctane 0.48
    1-chlorotetradecane 0.15
    n-nonane 0.06
    undecane 0.05
    tert-butylcyclohexane 0.1
    cyclooctane 0.09
    cyclopentanol 5.01
    tetrahydropyran 9.55
    tert-amyl methyl ether 1.05
    2,5,8-trioxanonane 17.89
    1-hexene 0.35
    2-isopropoxyethanol 7.21
    2,2,2-trifluoroethanol 10.5
    methyl butyrate 4.6

    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