Stigmast-4-en-3-one

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  • Identifiers

    CAS number
    1058-61-3

    Molecular formula
    C29H48O

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 86.16%
    Sandalwood 49.12%
    Amber 48.75%
    Dry 44.03%
    Cedar 39.12%
    Vetiver 38.57%
    Waxy 38.33%
    Balsamic 37.25%
    Spicy 32.63%
    Animal 32.34%

     

    Flavor
    Woody 43.15%
    Wood 33.71%
    Spice 32.06%
    Herb 30.12%
    Herbal 29.3%
    Terpentine 21.56%
    Waxy 21.21%
    Cedarleaf 21.14%
    Diterpene 20.97%
    Fir needle 20.95%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.3

    pKa est.
    7.81 (neutral)

    Molecular weight
    412.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    502°C

    Flash point

    • 217.27 ˚C est.

  • Synonyms

    • Stigmast-4-en-3-one
    • 1058-61-3
    • DTXSID50862519
    • (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
    • (8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta(a)phenanthren-3-one
    • RefChem:932240
    • Stigmast-4-en-3-one (8CI)
    • DTXCID001473909
    • Sitostenone
    • beta-sitostenone
    • 4-Stigmasten-3-one
    • 67392-96-5
    • 24-Eceo
    • (8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
    • 24-Ethyl-4-cholesten-3-one
    • gamma-sitostenone
    • ?-Sitostenone
    • |_-Sitostenone
    • NSC 49082
    • stigmast-4-ene-3-one
    • 4-stigmasta-ene-3-one
    • 3-oxo-4-en-sitosterone
    • .DELTA.4-Sitosterol-3-one
    • CHEMBL66926
    • SCHEMBL873360
    • orb1297067
    • 3-oxo-24-ethyl-cholest-4-ene
    • CHEBI:68105
    • HY-N1238
    • Stigmast-4-en-3-one, (24xi)-
    • MFCD00200560
    • EBC-617014
    • Stigmastanol Impurity 4; B-Sitostenone
    • (1R,3aS,3bS,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
    • DA-67613
    • FS-10107
    • 24(R)-Stigmast-7,22 (E)-dien-3a-ol
    • CS-0016639
    • Q27136596
    • 4-Sitosterol-3-one; -Rosasterol oxide; -Sitost-4-en-3-one; -Sitostenone
    • (8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
    • Stigmast-4-en-3-one

  • Applications

    Stigmast-4-en-3-one (CAS 1058-61-3) is primarily used as a steroidal ketone intermediate and building block in pharmaceutical research and production. It serves as a precursor for the synthesis of steroid derivatives and active pharmaceutical ingredients, and in laboratories it can function as a reference standard or starting material for structure–activity studies. It is also evaluated as a chemical intermediate for preparing complex natural product analogs and for analytical quality-control workflows. Use is typically restricted to controlled synthesis and research settings in accordance with applicable regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.92
    methanol 4.89
    isopropanol 25.96
    water 0.04
    ethyl acetate 56.12
    n-propanol 37.17
    acetone 44.61
    n-butanol 50.48
    acetonitrile 8.95
    DMF 29.87
    toluene 148.93
    isobutanol 31.85
    1,4-dioxane 114.87
    methyl acetate 27.92
    THF 189.01
    2-butanone 55.93
    n-pentanol 28.42
    sec-butanol 19.94
    n-hexane 5.49
    ethylene glycol 0.72
    NMP 56.87
    cyclohexane 16.42
    DMSO 10.38
    n-butyl acetate 66.5
    n-octanol 16.61
    chloroform 149.32
    n-propyl acetate 42.09
    acetic acid 11.68
    dichloromethane 96.99
    cyclohexanone 114.16
    propylene glycol 2.02
    isopropyl acetate 69.61
    DMAc 61.38
    2-ethoxyethanol 33.99
    isopentanol 51.07
    n-heptane 6.6
    ethyl formate 14.6
    1,2-dichloroethane 65.59
    n-hexanol 42.38
    2-methoxyethanol 35.25
    isobutyl acetate 47.77
    tetrachloromethane 28.0
    n-pentyl acetate 64.52
    transcutol 210.76
    n-heptanol 29.21
    ethylbenzene 46.9
    MIBK 69.51
    2-propoxyethanol 91.87
    tert-butanol 22.72
    MTBE 47.24
    2-butoxyethanol 65.86
    propionic acid 13.06
    o-xylene 64.85
    formic acid 2.12
    diethyl ether 81.93
    m-xylene 94.03
    p-xylene 49.42
    chlorobenzene 91.28
    dimethyl carbonate 18.28
    n-octane 1.82
    formamide 3.71
    cyclopentanone 102.27
    2-pentanone 72.35
    anisole 78.17
    cyclopentyl methyl ether 105.48
    gamma-butyrolactone 69.36
    1-methoxy-2-propanol 49.02
    pyridine 111.89
    3-pentanone 56.73
    furfural 59.17
    n-dodecane 1.08
    diethylene glycol 23.13
    diisopropyl ether 32.34
    tert-amyl alcohol 16.55
    acetylacetone 78.69
    n-hexadecane 1.36
    acetophenone 61.71
    methyl propionate 41.78
    isopentyl acetate 87.23
    trichloroethylene 129.31
    n-nonanol 20.7
    cyclohexanol 41.76
    benzyl alcohol 41.93
    2-ethylhexanol 33.56
    isooctanol 28.3
    dipropyl ether 59.67
    1,2-dichlorobenzene 79.49
    ethyl lactate 18.04
    propylene carbonate 41.88
    n-methylformamide 9.06
    2-pentanol 30.56
    n-pentane 8.28
    1-propoxy-2-propanol 76.92
    1-methoxy-2-propyl acetate 114.76
    2-(2-methoxypropoxy) propanol 58.24
    mesitylene 51.45
    ε-caprolactone 100.21
    p-cymene 35.47
    epichlorohydrin 102.17
    1,1,1-trichloroethane 72.51
    2-aminoethanol 4.3
    morpholine-4-carbaldehyde 82.58
    sulfolane 55.88
    2,2,4-trimethylpentane 4.27
    2-methyltetrahydrofuran 104.59
    n-hexyl acetate 60.17
    isooctane 4.68
    2-(2-butoxyethoxy)ethanol 81.23
    sec-butyl acetate 45.16
    tert-butyl acetate 82.88
    decalin 8.15
    glycerin 4.06
    diglyme 150.65
    acrylic acid 8.35
    isopropyl myristate 27.73
    n-butyric acid 44.02
    acetyl acetate 41.98
    di(2-ethylhexyl) phthalate 31.03
    ethyl propionate 41.91
    nitromethane 18.6
    1,2-diethoxyethane 88.75
    benzonitrile 43.18
    trioctyl phosphate 19.51
    1-bromopropane 59.56
    gamma-valerolactone 154.05
    n-decanol 13.22
    triethyl phosphate 33.16
    4-methyl-2-pentanol 29.51
    propionitrile 22.97
    vinylene carbonate 39.57
    1,1,2-trichlorotrifluoroethane 42.43
    DMS 42.49
    cumene 30.92
    2-octanol 15.87
    2-hexanone 45.64
    octyl acetate 30.47
    limonene 38.96
    1,2-dimethoxyethane 73.27
    ethyl orthosilicate 39.23
    tributyl phosphate 21.74
    diacetone alcohol 55.95
    N,N-dimethylaniline 52.57
    acrylonitrile 17.08
    aniline 73.75
    1,3-propanediol 17.56
    bromobenzene 111.37
    dibromomethane 77.11
    1,1,2,2-tetrachloroethane 97.31
    2-methyl-cyclohexyl acetate 62.01
    tetrabutyl urea 30.2
    diisobutyl methanol 25.96
    2-phenylethanol 64.83
    styrene 50.81
    dioctyl adipate 40.48
    dimethyl sulfate 22.75
    ethyl butyrate 59.3
    methyl lactate 15.13
    butyl lactate 42.8
    diethyl carbonate 35.85
    propanediol butyl ether 31.15
    triethyl orthoformate 60.92
    p-tert-butyltoluene 32.77
    methyl 4-tert-butylbenzoate 74.6
    morpholine 118.43
    tert-butylamine 19.8
    n-dodecanol 9.07
    dimethoxymethane 66.14
    ethylene carbonate 38.9
    cyrene 49.81
    2-ethoxyethyl acetate 97.68
    2-ethylhexyl acetate 74.5
    1,2,4-trichlorobenzene 93.48
    4-methylpyridine 113.73
    dibutyl ether 29.22
    2,6-dimethyl-4-heptanol 25.96
    DEF 57.44
    dimethyl isosorbide 114.3
    tetrachloroethylene 66.89
    eugenol 66.56
    triacetin 66.53
    span 80 47.84
    1,4-butanediol 5.44
    1,1-dichloroethane 64.06
    2-methyl-1-pentanol 31.04
    methyl formate 6.32
    2-methyl-1-butanol 39.59
    n-decane 2.72
    butyronitrile 33.6
    3,7-dimethyl-1-octanol 24.02
    1-chlorooctane 13.69
    1-chlorotetradecane 4.4
    n-nonane 2.23
    undecane 1.6
    tert-butylcyclohexane 6.41
    cyclooctane 6.41
    cyclopentanol 26.71
    tetrahydropyran 148.15
    tert-amyl methyl ether 34.22
    2,5,8-trioxanonane 89.68
    1-hexene 18.57
    2-isopropoxyethanol 35.29
    2,2,2-trifluoroethanol 6.3
    methyl butyrate 43.27

    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