Megestrol

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  • Identifiers

    CAS number
    3562-63-8

    Molecular formula
    C22H30O3

    SMILES
    CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Woody 76.47%
    Cedar 40.64%
    Amber 38.04%
    Dry 35.35%
    Fruity 35.19%
    Musk 31.09%
    Powdery 30.92%
    Tobacco 30.14%
    Orris 29.04%
    Sweet 27.28%

     

    Flavor
    Bitter 59.4%
    Minty 26.13%
    Ripe apricot 21.59%
    Red fruit 20.83%
    Cedarleaf 20.7%
    Leaves 20.63%
    Lovage 20.57%
    Fenugreek 20.55%
    Basil 20.52%
    Maple syrup 20.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.35 (neutral)

    Molecular weight
    342.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    412°C

    Flash point

    • 220.77 ˚C est.

    Solubility expt.

    • WHITE OR ALMOST WHITE, CRYSTALLINE POWDER; SPARINGLY SOL IN ALC; SLIGHTLY SOL IN ETHER & FIXED OILS; SOL IN ACETONE; VERY SOL IN CHLOROFORM /ACETATE/

  • Synonyms

    • megestrol
    • 3562-63-8
    • Megestrolo
    • Pregna-4,6-diene-3,20-dione, 17-hydroxy-6-methyl-
    • Chronopil
    • Megestrolum
    • 17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione
    • Megestrolum [INN-Latin]
    • HSDB 3233
    • UNII-EA6LD1M70M
    • EINECS 222-628-6
    • EA6LD1M70M
    • Megestrol (INN)
    • (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
    • CHEBI:6722
    • (8R,9S,10R,13S,14S,17R)-17-Acetyl-17-hydroxy-6,10,13-trimethyl-8,9,10,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
    • DTXSID001009330
    • MEGESTROL [INN]
    • Megestrolum (INN-Latin)
    • Megestrol [INN:BAN]
    • Megestrol (Acetate)
    • Chronopil (TN)
    • Pregna-4,6-diene-3,20-dione, 17-hydroxy-6-methyl-; 17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione; Megestrol; 6-Methyl-17-hydroxypregna-4,6-diene-3,20-dione
    • Compound 5071
    • Megestrol (Standard)
    • MEGESTROL [HSDB]
    • MEGESTROL [VANDF]
    • MEGESTROL [WHO-DD]
    • SCHEMBL8942
    • GTPL9128
    • CHEMBL4071215
    • HY-B1834R
    • G03AC05
    • G03DB02
    • L02AB01
    • VXIMPSPISRVBPZ-NWUMPJBXSA-N
    • DTXCID001436159
    • HY-B1834
    • s5738
    • FH39644
    • AC-32473
    • MS-25250
    • CS-0013903
    • NS00014345
    • C07120
    • D08167
    • MEGESTROL ACETATE IMPURITY B [EP IMPURITY]
    • Q410513
    • 222-628-6

  • Applications

    Megestrol (CAS 3562-63-8) is primarily used as a steroidal building block in pharmaceutical manufacturing, serving as an intermediate for the synthesis of progestin hormones; in medicinal chemistry research it is used as a reference compound and a substrate for steroid transformations; it may function as a precursor for progestin derivatives; it can serve as an analytical reference material in steroid analysis; usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.96
    methanol 26.88
    isopropanol 18.77
    water 0.11
    ethyl acetate 15.27
    n-propanol 26.3
    acetone 23.56
    n-butanol 20.19
    acetonitrile 15.7
    DMF 137.76
    toluene 38.65
    isobutanol 14.39
    1,4-dioxane 51.63
    methyl acetate 13.53
    THF 80.14
    2-butanone 19.31
    n-pentanol 8.69
    sec-butanol 6.22
    n-hexane 0.44
    ethylene glycol 4.86
    NMP 34.84
    cyclohexane 1.55
    DMSO 31.36
    n-butyl acetate 12.46
    n-octanol 3.6
    chloroform 68.32
    n-propyl acetate 9.97
    acetic acid 16.0
    dichloromethane 37.8
    cyclohexanone 37.31
    propylene glycol 5.42
    isopropyl acetate 16.2
    DMAc 48.6
    2-ethoxyethanol 22.77
    isopentanol 13.7
    n-heptane 0.36
    ethyl formate 8.34
    1,2-dichloroethane 20.59
    n-hexanol 14.2
    2-methoxyethanol 50.55
    isobutyl acetate 10.0
    tetrachloromethane 8.08
    n-pentyl acetate 12.15
    transcutol 49.8
    n-heptanol 7.89
    ethylbenzene 10.08
    MIBK 16.88
    2-propoxyethanol 58.19
    tert-butanol 13.57
    MTBE 5.52
    2-butoxyethanol 26.56
    propionic acid 10.73
    o-xylene 14.41
    formic acid 9.75
    diethyl ether 13.22
    m-xylene 19.77
    p-xylene 11.94
    chlorobenzene 24.48
    dimethyl carbonate 19.86
    n-octane 0.18
    formamide 19.02
    cyclopentanone 48.02
    2-pentanone 19.97
    anisole 24.28
    cyclopentyl methyl ether 22.52
    gamma-butyrolactone 37.6
    1-methoxy-2-propanol 46.91
    pyridine 59.4
    3-pentanone 16.31
    furfural 44.09
    n-dodecane 0.14
    diethylene glycol 40.72
    diisopropyl ether 4.01
    tert-amyl alcohol 4.73
    acetylacetone 31.15
    n-hexadecane 0.17
    acetophenone 21.93
    methyl propionate 19.3
    isopentyl acetate 15.24
    trichloroethylene 49.72
    n-nonanol 4.57
    cyclohexanol 11.81
    benzyl alcohol 22.13
    2-ethylhexanol 6.22
    isooctanol 6.66
    dipropyl ether 7.47
    1,2-dichlorobenzene 20.86
    ethyl lactate 10.28
    propylene carbonate 18.09
    n-methylformamide 36.94
    2-pentanol 7.49
    n-pentane 0.63
    1-propoxy-2-propanol 31.5
    1-methoxy-2-propyl acetate 31.48
    2-(2-methoxypropoxy) propanol 20.8
    mesitylene 9.69
    ε-caprolactone 24.63
    p-cymene 5.38
    epichlorohydrin 46.7
    1,1,1-trichloroethane 18.79
    2-aminoethanol 14.28
    morpholine-4-carbaldehyde 69.56
    sulfolane 38.83
    2,2,4-trimethylpentane 0.35
    2-methyltetrahydrofuran 17.85
    n-hexyl acetate 11.79
    isooctane 0.44
    2-(2-butoxyethoxy)ethanol 25.81
    sec-butyl acetate 8.58
    tert-butyl acetate 17.25
    decalin 0.85
    glycerin 12.78
    diglyme 49.78
    acrylic acid 11.89
    isopropyl myristate 5.32
    n-butyric acid 19.6
    acetyl acetate 17.39
    di(2-ethylhexyl) phthalate 9.87
    ethyl propionate 11.94
    nitromethane 30.99
    1,2-diethoxyethane 13.81
    benzonitrile 23.47
    trioctyl phosphate 5.81
    1-bromopropane 9.84
    gamma-valerolactone 73.75
    n-decanol 2.95
    triethyl phosphate 8.95
    4-methyl-2-pentanol 6.82
    propionitrile 22.79
    vinylene carbonate 23.82
    1,1,2-trichlorotrifluoroethane 35.73
    DMS 17.44
    cumene 5.77
    2-octanol 3.49
    2-hexanone 10.98
    octyl acetate 6.25
    limonene 4.98
    1,2-dimethoxyethane 38.65
    ethyl orthosilicate 9.08
    tributyl phosphate 5.79
    diacetone alcohol 22.59
    N,N-dimethylaniline 16.08
    acrylonitrile 31.26
    aniline 34.36
    1,3-propanediol 24.07
    bromobenzene 25.13
    dibromomethane 23.02
    1,1,2,2-tetrachloroethane 38.4
    2-methyl-cyclohexyl acetate 13.67
    tetrabutyl urea 8.99
    diisobutyl methanol 4.69
    2-phenylethanol 29.28
    styrene 11.95
    dioctyl adipate 9.96
    dimethyl sulfate 25.1
    ethyl butyrate 10.53
    methyl lactate 17.13
    butyl lactate 14.11
    diethyl carbonate 8.83
    propanediol butyl ether 15.49
    triethyl orthoformate 11.93
    p-tert-butyltoluene 5.39
    methyl 4-tert-butylbenzoate 23.58
    morpholine 56.04
    tert-butylamine 6.55
    n-dodecanol 1.87
    dimethoxymethane 83.35
    ethylene carbonate 18.92
    cyrene 25.88
    2-ethoxyethyl acetate 22.05
    2-ethylhexyl acetate 10.75
    1,2,4-trichlorobenzene 26.64
    4-methylpyridine 48.14
    dibutyl ether 3.29
    2,6-dimethyl-4-heptanol 4.69
    DEF 19.3
    dimethyl isosorbide 39.29
    tetrachloroethylene 26.91
    eugenol 28.08
    triacetin 18.66
    span 80 15.98
    1,4-butanediol 7.2
    1,1-dichloroethane 18.66
    2-methyl-1-pentanol 6.59
    methyl formate 19.57
    2-methyl-1-butanol 9.24
    n-decane 0.3
    butyronitrile 16.46
    3,7-dimethyl-1-octanol 4.34
    1-chlorooctane 1.71
    1-chlorotetradecane 0.61
    n-nonane 0.23
    undecane 0.19
    tert-butylcyclohexane 0.68
    cyclooctane 0.56
    cyclopentanol 12.16
    tetrahydropyran 31.42
    tert-amyl methyl ether 4.31
    2,5,8-trioxanonane 33.38
    1-hexene 2.16
    2-isopropoxyethanol 14.9
    2,2,2-trifluoroethanol 9.13
    methyl butyrate 12.2

    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