Acetyl benzoyloxy prasterone

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  • Identifiers

    CAS number
    307976-92-7

    Molecular formula
    C28H34O5

    SMILES
    CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C=C2C1)OC(=O)C5=CC=CC=C5)CCC4=O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 59.64%
    Green 57.42%
    Herbal 48.54%
    Balsamic 44.66%
    Fruity 41.62%
    Fresh 39.17%
    Floral 35.55%
    Cedar 31.25%
    Mint 27.49%
    Pine 25.73%

     

    Flavor
    Bitter 72.47%
    Balsam 23.73%
    Herbal 21.9%
    Minty 21.27%
    Lovage 21.09%
    Cedarleaf 20.94%
    Ethyl benzoate 20.45%
    Ripe apricot 20.43%
    Aniseed 20.24%
    Red fruit 20.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    5.86 (weak acid)

    Molecular weight
    450.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    528°C

    Flash point

    • 243.07 ˚C est.

  • Synonyms

    • Acetyl benzoyloxy prasterone
    • UNII-XWE55W00O1
    • XWE55W00O1
    • 307976-92-7
    • DTXSID90184808
    • Androst-5-en-17-one, 3-(acetyloxy)-7-(benzoyloxy)-, (3beta,7alpha)-
    • ANDROST-5-EN-17-ONE, 3-(ACETYLOXY)-7-(BENZOYLOXY)-, (3.BETA.,7.ALPHA.)-
    • RefChem:109044
    • DTXCID90107299
    • ACETYL BENZOYLOXY PRASTERONE [INCI]
    • Q27294032
    • 3beta-(Acetyloxy)-17-oxoandrost-5-en-7alpha-yl benzoate
    • 307976-92-7

  • Applications

    Acetyl benzoyloxy prasterone, CAS 307976-92-7, is a steroid-derived compound related to prasterone (DHEA). Its practical applications are mainly in the role of an intermediate in the synthesis of complex steroid compounds for the pharmaceutical industry, where it is viewed as a precursor and building block for the development of prasterone derivatives. It may also be evaluated in cosmetic R&D as a precursor to active steroid forms in skincare formulations. In analytical chemistry, it can be used as a reference standard or a reagent for methods that identify steroid compounds. Additionally, it may be considered an intermediate in industrial manufacturing workflows involving steroid chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.55
    methanol 13.44
    isopropanol 17.76
    water 0.03
    ethyl acetate 44.12
    n-propanol 28.99
    acetone 45.57
    n-butanol 25.11
    acetonitrile 17.44
    DMF 81.06
    toluene 46.6
    isobutanol 16.49
    1,4-dioxane 80.66
    methyl acetate 33.57
    THF 111.48
    2-butanone 54.41
    n-pentanol 16.67
    sec-butanol 11.61
    n-hexane 0.49
    ethylene glycol 3.18
    NMP 85.7
    cyclohexane 1.64
    DMSO 45.6
    n-butyl acetate 21.02
    n-octanol 3.58
    chloroform 254.77
    n-propyl acetate 20.84
    acetic acid 45.6
    dichloromethane 155.44
    cyclohexanone 90.36
    propylene glycol 5.71
    isopropyl acetate 28.54
    DMAc 129.79
    2-ethoxyethanol 40.29
    isopentanol 16.79
    n-heptane 0.39
    ethyl formate 18.08
    1,2-dichloroethane 70.26
    n-hexanol 14.2
    2-methoxyethanol 56.95
    isobutyl acetate 14.63
    tetrachloromethane 14.11
    n-pentyl acetate 15.61
    transcutol 108.49
    n-heptanol 7.27
    ethylbenzene 12.17
    MIBK 23.88
    2-propoxyethanol 65.97
    tert-butanol 11.46
    MTBE 9.36
    2-butoxyethanol 31.12
    propionic acid 26.3
    o-xylene 17.42
    formic acid 16.36
    diethyl ether 24.9
    m-xylene 18.68
    p-xylene 14.11
    chlorobenzene 52.93
    dimethyl carbonate 36.49
    n-octane 0.16
    formamide 24.3
    cyclopentanone 90.51
    2-pentanone 46.5
    anisole 31.18
    cyclopentyl methyl ether 38.64
    gamma-butyrolactone 94.3
    1-methoxy-2-propanol 56.32
    pyridine 92.74
    3-pentanone 42.16
    furfural 80.1
    n-dodecane 0.17
    diethylene glycol 38.51
    diisopropyl ether 4.84
    tert-amyl alcohol 7.36
    acetylacetone 57.54
    n-hexadecane 0.21
    acetophenone 35.0
    methyl propionate 49.31
    isopentyl acetate 20.42
    trichloroethylene 202.61
    n-nonanol 4.67
    cyclohexanol 19.59
    benzyl alcohol 32.92
    2-ethylhexanol 6.6
    isooctanol 5.95
    dipropyl ether 9.75
    1,2-dichlorobenzene 41.16
    ethyl lactate 16.09
    propylene carbonate 42.69
    n-methylformamide 36.71
    2-pentanol 11.03
    n-pentane 0.64
    1-propoxy-2-propanol 36.06
    1-methoxy-2-propyl acetate 45.71
    2-(2-methoxypropoxy) propanol 28.64
    mesitylene 7.54
    ε-caprolactone 70.48
    p-cymene 4.89
    epichlorohydrin 124.48
    1,1,1-trichloroethane 54.05
    2-aminoethanol 11.01
    morpholine-4-carbaldehyde 117.01
    sulfolane 83.85
    2,2,4-trimethylpentane 0.37
    2-methyltetrahydrofuran 40.97
    n-hexyl acetate 15.27
    isooctane 0.31
    2-(2-butoxyethoxy)ethanol 38.35
    sec-butyl acetate 15.53
    tert-butyl acetate 21.4
    decalin 0.85
    glycerin 14.38
    diglyme 77.81
    acrylic acid 27.35
    isopropyl myristate 6.33
    n-butyric acid 47.07
    acetyl acetate 38.21
    di(2-ethylhexyl) phthalate 11.78
    ethyl propionate 21.38
    nitromethane 70.98
    1,2-diethoxyethane 25.67
    benzonitrile 32.41
    trioctyl phosphate 6.21
    1-bromopropane 31.98
    gamma-valerolactone 156.29
    n-decanol 3.12
    triethyl phosphate 11.58
    4-methyl-2-pentanol 7.36
    propionitrile 25.28
    vinylene carbonate 55.88
    1,1,2-trichlorotrifluoroethane 89.76
    DMS 27.11
    cumene 6.06
    2-octanol 3.24
    2-hexanone 24.31
    octyl acetate 8.51
    limonene 5.57
    1,2-dimethoxyethane 51.92
    ethyl orthosilicate 10.79
    tributyl phosphate 7.53
    diacetone alcohol 28.74
    N,N-dimethylaniline 18.24
    acrylonitrile 34.58
    aniline 56.62
    1,3-propanediol 26.84
    bromobenzene 54.7
    dibromomethane 90.37
    1,1,2,2-tetrachloroethane 145.03
    2-methyl-cyclohexyl acetate 17.13
    tetrabutyl urea 11.14
    diisobutyl methanol 4.07
    2-phenylethanol 33.34
    styrene 16.45
    dioctyl adipate 13.08
    dimethyl sulfate 49.53
    ethyl butyrate 16.41
    methyl lactate 29.51
    butyl lactate 16.45
    diethyl carbonate 12.46
    propanediol butyl ether 17.84
    triethyl orthoformate 14.78
    p-tert-butyltoluene 4.51
    methyl 4-tert-butylbenzoate 26.15
    morpholine 94.47
    tert-butylamine 4.88
    n-dodecanol 2.13
    dimethoxymethane 80.08
    ethylene carbonate 45.84
    cyrene 36.03
    2-ethoxyethyl acetate 34.09
    2-ethylhexyl acetate 15.6
    1,2,4-trichlorobenzene 60.62
    4-methylpyridine 85.39
    dibutyl ether 4.84
    2,6-dimethyl-4-heptanol 4.07
    DEF 50.02
    dimethyl isosorbide 50.25
    tetrachloroethylene 79.36
    eugenol 28.57
    triacetin 28.23
    span 80 21.0
    1,4-butanediol 9.86
    1,1-dichloroethane 66.47
    2-methyl-1-pentanol 12.04
    methyl formate 24.79
    2-methyl-1-butanol 14.48
    n-decane 0.32
    butyronitrile 21.92
    3,7-dimethyl-1-octanol 4.38
    1-chlorooctane 2.11
    1-chlorotetradecane 0.83
    n-nonane 0.24
    undecane 0.22
    tert-butylcyclohexane 0.56
    cyclooctane 0.5
    cyclopentanol 19.57
    tetrahydropyran 58.95
    tert-amyl methyl ether 8.26
    2,5,8-trioxanonane 49.23
    1-hexene 3.53
    2-isopropoxyethanol 27.63
    2,2,2-trifluoroethanol 20.29
    methyl butyrate 24.89

    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