Stigmast-4-ene-3,6-dione

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  • Identifiers

    CAS number
    23670-94-2

    Molecular formula
    C29H46O2

    SMILES
    CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4=CC(=O)CC[C@]34C)C)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 85.8%
    Amber 49.49%
    Cedar 44.83%
    Dry 44.66%
    Sandalwood 41.51%
    Vetiver 37.0%
    Spicy 34.97%
    Balsamic 33.8%
    Musk 32.43%
    Animal 31.74%

     

    Flavor
    Woody 43.02%
    Herbal 42.14%
    Spice 30.85%
    Herb 27.85%
    Wood 27.56%
    Bitter 24.72%
    Cedarleaf 21.86%
    Terpentine 20.92%
    Lovage 20.43%
    Outdoor 20.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.4

    pKa est.
    7.52 (neutral)

    Molecular weight
    426.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    489°C

    Flash point

    • 224.19 ˚C est.

  • Synonyms

    • Stigmast-4-ene-3,6-dione
    • 23670-94-2
    • DTXSID50946484
    • RefChem:932241
    • DTXCID101374768
    • (2R,15R)-14-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadec-6-ene-5,8-dione
    • stigmast-4-en-3,6-dione
    • (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
    • 57458-57-8
    • orb1681645
    • SCHEMBL1654849
    • CHEBI:191778
    • UVFOCYGYACXLAY-ZDQUCUCBSA-N
    • HY-N1221
    • AKOS022184790
    • FS42626
    • FS-10036
    • CS-0016608
    • (24R)-24-Ethylcholest-4-ene-3,6-dione;4-Sitosterol-3,6-dione
    • 57458-57-8

  • Applications

    Stigmast-4-ene-3,6-dione (CAS 23670-94-2) is commonly used as an intermediate in steroid synthesis, providing a versatile building block for pharmaceutical steroids and other sterol-derived compounds. It may be employed in cosmetics and personal care as a sterol-based intermediate for functional additives. In research and development, it serves as a model substrate and synthetic intermediate in steroid chemistry. In industrial manufacturing, it can serve as a precursor to functionalized sterol derivatives for polymer and materials applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.35
    methanol 6.19
    isopropanol 19.73
    water 0.04
    ethyl acetate 39.51
    n-propanol 31.24
    acetone 32.89
    n-butanol 35.73
    acetonitrile 8.86
    DMF 37.93
    toluene 92.81
    isobutanol 23.51
    1,4-dioxane 75.12
    methyl acetate 23.43
    THF 139.21
    2-butanone 42.14
    n-pentanol 22.81
    sec-butanol 13.42
    n-hexane 1.94
    ethylene glycol 0.92
    NMP 65.32
    cyclohexane 5.21
    DMSO 11.6
    n-butyl acetate 39.51
    n-octanol 9.27
    chloroform 121.71
    n-propyl acetate 27.98
    acetic acid 15.08
    dichloromethane 74.78
    cyclohexanone 85.94
    propylene glycol 2.43
    isopropyl acetate 44.74
    DMAc 69.64
    2-ethoxyethanol 29.79
    isopentanol 30.65
    n-heptane 1.76
    ethyl formate 11.57
    1,2-dichloroethane 47.52
    n-hexanol 29.43
    2-methoxyethanol 33.65
    isobutyl acetate 30.82
    tetrachloromethane 17.93
    n-pentyl acetate 37.22
    transcutol 121.0
    n-heptanol 17.13
    ethylbenzene 27.9
    MIBK 40.23
    2-propoxyethanol 80.83
    tert-butanol 15.12
    MTBE 21.36
    2-butoxyethanol 47.64
    propionic acid 14.55
    o-xylene 36.8
    formic acid 3.1
    diethyl ether 38.76
    m-xylene 50.27
    p-xylene 31.57
    chlorobenzene 66.24
    dimethyl carbonate 17.0
    n-octane 0.59
    formamide 5.29
    cyclopentanone 86.68
    2-pentanone 48.05
    anisole 50.37
    cyclopentyl methyl ether 66.14
    gamma-butyrolactone 71.19
    1-methoxy-2-propanol 42.33
    pyridine 89.07
    3-pentanone 40.3
    furfural 54.81
    n-dodecane 0.41
    diethylene glycol 24.49
    diisopropyl ether 13.47
    tert-amyl alcohol 9.84
    acetylacetone 57.81
    n-hexadecane 0.53
    acetophenone 45.99
    methyl propionate 34.27
    isopentyl acetate 49.15
    trichloroethylene 105.75
    n-nonanol 11.78
    cyclohexanol 27.91
    benzyl alcohol 36.74
    2-ethylhexanol 17.86
    isooctanol 15.65
    dipropyl ether 24.64
    1,2-dichlorobenzene 57.43
    ethyl lactate 15.57
    propylene carbonate 37.61
    n-methylformamide 11.85
    2-pentanol 17.92
    n-pentane 2.37
    1-propoxy-2-propanol 55.3
    1-methoxy-2-propyl acetate 75.87
    2-(2-methoxypropoxy) propanol 38.8
    mesitylene 23.58
    ε-caprolactone 77.11
    p-cymene 16.75
    epichlorohydrin 87.58
    1,1,1-trichloroethane 49.59
    2-aminoethanol 5.26
    morpholine-4-carbaldehyde 79.16
    sulfolane 59.2
    2,2,4-trimethylpentane 1.51
    2-methyltetrahydrofuran 65.91
    n-hexyl acetate 34.96
    isooctane 1.52
    2-(2-butoxyethoxy)ethanol 51.71
    sec-butyl acetate 28.14
    tert-butyl acetate 45.95
    decalin 3.22
    glycerin 4.83
    diglyme 95.02
    acrylic acid 10.72
    isopropyl myristate 14.53
    n-butyric acid 37.68
    acetyl acetate 34.59
    di(2-ethylhexyl) phthalate 20.93
    ethyl propionate 28.24
    nitromethane 21.52
    1,2-diethoxyethane 42.63
    benzonitrile 35.18
    trioctyl phosphate 12.51
    1-bromopropane 34.62
    gamma-valerolactone 134.99
    n-decanol 7.37
    triethyl phosphate 20.4
    4-methyl-2-pentanol 16.25
    propionitrile 20.29
    vinylene carbonate 38.11
    1,1,2-trichlorotrifluoroethane 40.69
    DMS 32.43
    cumene 17.24
    2-octanol 8.3
    2-hexanone 32.39
    octyl acetate 17.04
    limonene 17.47
    1,2-dimethoxyethane 52.23
    ethyl orthosilicate 22.66
    tributyl phosphate 13.69
    diacetone alcohol 38.48
    N,N-dimethylaniline 34.39
    acrylonitrile 17.73
    aniline 57.13
    1,3-propanediol 16.97
    bromobenzene 74.12
    dibromomethane 54.94
    1,1,2,2-tetrachloroethane 81.95
    2-methyl-cyclohexyl acetate 37.36
    tetrabutyl urea 19.17
    diisobutyl methanol 11.72
    2-phenylethanol 50.16
    styrene 32.06
    dioctyl adipate 24.27
    dimethyl sulfate 22.93
    ethyl butyrate 33.36
    methyl lactate 15.3
    butyl lactate 29.76
    diethyl carbonate 21.83
    propanediol butyl ether 22.8
    triethyl orthoformate 33.47
    p-tert-butyltoluene 15.48
    methyl 4-tert-butylbenzoate 49.73
    morpholine 89.17
    tert-butylamine 10.49
    n-dodecanol 4.78
    dimethoxymethane 54.49
    ethylene carbonate 35.16
    cyrene 42.7
    2-ethoxyethyl acetate 60.97
    2-ethylhexyl acetate 39.72
    1,2,4-trichlorobenzene 70.43
    4-methylpyridine 92.98
    dibutyl ether 11.9
    2,6-dimethyl-4-heptanol 11.72
    DEF 43.32
    dimethyl isosorbide 83.12
    tetrachloroethylene 53.97
    eugenol 46.37
    triacetin 44.41
    span 80 31.27
    1,4-butanediol 6.1
    1,1-dichloroethane 46.71
    2-methyl-1-pentanol 20.39
    methyl formate 7.63
    2-methyl-1-butanol 24.03
    n-decane 0.98
    butyronitrile 24.68
    3,7-dimethyl-1-octanol 12.23
    1-chlorooctane 5.95
    1-chlorotetradecane 1.94
    n-nonane 0.75
    undecane 0.61
    tert-butylcyclohexane 2.42
    cyclooctane 1.9
    cyclopentanol 22.9
    tetrahydropyran 86.62
    tert-amyl methyl ether 16.38
    2,5,8-trioxanonane 57.94
    1-hexene 9.3
    2-isopropoxyethanol 28.61
    2,2,2-trifluoroethanol 7.7
    methyl butyrate 30.88

    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