(3beta,5alpha,6alpha)-Cholest-8-ene-3,6-diol

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  • Identifiers

    CAS number
    570-92-3

    Molecular formula
    C27H46O2

    SMILES
    CC(C)CCCC(C)C1CCC2C1(CCC3=C2CC(C4C3(CCC(C4)O)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 78.84%
    Sandalwood 54.61%
    Amber 48.33%
    Balsamic 44.94%
    Dry 40.18%
    Spicy 38.6%
    Sweet 37.75%
    Musk 36.48%
    Cedar 33.17%
    Animal 33.13%

     

    Flavor
    Woody 38.61%
    Herb 32.82%
    Herbal 30.64%
    Spice 30.45%
    Wood 30.29%
    Waxy 24.36%
    Balsam 23.59%
    Mild 23.58%
    Pine 23.27%
    Earthy 22.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.8

    pKa est.
    8.1 (weak base)

    Molecular weight
    402.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    275°C

    Melting point expt.

    • 181 - 183 °C

    Flash point

    • 222.77 ˚C est.

  • Synonyms

    • (3beta,5alpha,6alpha)-Cholest-8-ene-3,6-diol
    • Peniocerol
    • 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
    • 570-92-3
    • CHEBI:192017
    • 570-92-3

  • Applications

    (3beta,5alpha,6alpha)-Cholest-8-ene-3,6-diol (CAS 570-92-3) is primarily used as a chemical intermediate and a chiral building block in steroid and sterol chemistry. In pharmaceutical development it is often evaluated as a precursor for the synthesis of steroidal frameworks or hormonally active compounds. In research and development, it serves as a stereochemically rich scaffold and as a reference material for method development and characterization of chiral transformations. It may also be used in cosmetics and personal care as a sterol-derived intermediate or precursor for formulation work. Additionally, it can be employed in academic or industrial laboratories for enzymatic or chemical transformation studies to explore functionalization of the cholestane core. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.07
    methanol 8.13
    isopropanol 17.64
    water 0.11
    ethyl acetate 21.21
    n-propanol 25.41
    acetone 31.04
    n-butanol 28.27
    acetonitrile 4.85
    DMF 24.47
    toluene 35.25
    isobutanol 17.48
    1,4-dioxane 66.09
    methyl acetate 12.5
    THF 146.85
    2-butanone 24.04
    n-pentanol 16.38
    sec-butanol 7.01
    n-hexane 1.14
    ethylene glycol 1.05
    NMP 32.8
    cyclohexane 2.3
    DMSO 14.88
    n-butyl acetate 32.36
    n-octanol 14.53
    chloroform 56.21
    n-propyl acetate 18.94
    acetic acid 10.91
    dichloromethane 32.41
    cyclohexanone 51.73
    propylene glycol 2.22
    isopropyl acetate 28.74
    DMAc 38.15
    2-ethoxyethanol 27.37
    isopentanol 25.44
    n-heptane 1.99
    ethyl formate 8.41
    1,2-dichloroethane 21.74
    n-hexanol 24.94
    2-methoxyethanol 32.52
    isobutyl acetate 23.72
    tetrachloromethane 10.01
    n-pentyl acetate 36.68
    transcutol 152.97
    n-heptanol 23.07
    ethylbenzene 12.73
    MIBK 31.55
    2-propoxyethanol 74.19
    tert-butanol 14.45
    MTBE 18.03
    2-butoxyethanol 58.19
    propionic acid 8.57
    o-xylene 16.28
    formic acid 3.06
    diethyl ether 25.48
    m-xylene 25.13
    p-xylene 15.0
    chlorobenzene 27.96
    dimethyl carbonate 11.03
    n-octane 0.68
    formamide 4.59
    cyclopentanone 58.61
    2-pentanone 31.54
    anisole 31.57
    cyclopentyl methyl ether 40.49
    gamma-butyrolactone 44.1
    1-methoxy-2-propanol 37.9
    pyridine 48.63
    3-pentanone 20.4
    furfural 35.63
    n-dodecane 0.44
    diethylene glycol 25.25
    diisopropyl ether 9.6
    tert-amyl alcohol 6.89
    acetylacetone 41.56
    n-hexadecane 0.54
    acetophenone 29.19
    methyl propionate 18.72
    isopentyl acetate 43.27
    trichloroethylene 46.39
    n-nonanol 17.28
    cyclohexanol 15.59
    benzyl alcohol 24.14
    2-ethylhexanol 17.74
    isooctanol 20.45
    dipropyl ether 24.95
    1,2-dichlorobenzene 23.94
    ethyl lactate 11.52
    propylene carbonate 22.72
    n-methylformamide 8.24
    2-pentanol 11.38
    n-pentane 1.4
    1-propoxy-2-propanol 52.58
    1-methoxy-2-propyl acetate 60.84
    2-(2-methoxypropoxy) propanol 42.51
    mesitylene 13.59
    ε-caprolactone 43.89
    p-cymene 13.04
    epichlorohydrin 52.33
    1,1,1-trichloroethane 21.81
    2-aminoethanol 4.9
    morpholine-4-carbaldehyde 50.63
    sulfolane 39.27
    2,2,4-trimethylpentane 0.98
    2-methyltetrahydrofuran 43.98
    n-hexyl acetate 36.86
    isooctane 1.14
    2-(2-butoxyethoxy)ethanol 64.96
    sec-butyl acetate 17.71
    tert-butyl acetate 35.54
    decalin 1.75
    glycerin 5.32
    diglyme 110.2
    acrylic acid 6.79
    isopropyl myristate 14.69
    n-butyric acid 25.77
    acetyl acetate 20.23
    di(2-ethylhexyl) phthalate 19.27
    ethyl propionate 16.82
    nitromethane 14.86
    1,2-diethoxyethane 43.98
    benzonitrile 20.22
    trioctyl phosphate 13.41
    1-bromopropane 13.61
    gamma-valerolactone 91.89
    n-decanol 10.82
    triethyl phosphate 14.96
    4-methyl-2-pentanol 13.04
    propionitrile 10.38
    vinylene carbonate 23.1
    1,1,2-trichlorotrifluoroethane 29.54
    DMS 20.96
    cumene 9.84
    2-octanol 11.62
    2-hexanone 21.3
    octyl acetate 18.21
    limonene 13.57
    1,2-dimethoxyethane 51.27
    ethyl orthosilicate 17.75
    tributyl phosphate 12.59
    diacetone alcohol 33.03
    N,N-dimethylaniline 21.98
    acrylonitrile 9.81
    aniline 28.6
    1,3-propanediol 16.38
    bromobenzene 29.11
    dibromomethane 23.34
    1,1,2,2-tetrachloroethane 36.31
    2-methyl-cyclohexyl acetate 28.77
    tetrabutyl urea 18.27
    diisobutyl methanol 12.3
    2-phenylethanol 37.76
    styrene 13.98
    dioctyl adipate 22.32
    dimethyl sulfate 15.65
    ethyl butyrate 26.12
    methyl lactate 11.53
    butyl lactate 30.8
    diethyl carbonate 15.97
    propanediol butyl ether 32.07
    triethyl orthoformate 27.55
    p-tert-butyltoluene 12.33
    methyl 4-tert-butylbenzoate 43.37
    morpholine 66.27
    tert-butylamine 8.9
    n-dodecanol 6.48
    dimethoxymethane 51.21
    ethylene carbonate 21.18
    cyrene 36.26
    2-ethoxyethyl acetate 55.93
    2-ethylhexyl acetate 33.55
    1,2,4-trichlorobenzene 30.68
    4-methylpyridine 43.09
    dibutyl ether 14.01
    2,6-dimethyl-4-heptanol 12.3
    DEF 23.65
    dimethyl isosorbide 71.85
    tetrachloroethylene 26.45
    eugenol 44.08
    triacetin 38.33
    span 80 35.4
    1,4-butanediol 5.4
    1,1-dichloroethane 19.17
    2-methyl-1-pentanol 15.44
    methyl formate 6.11
    2-methyl-1-butanol 17.42
    n-decane 1.15
    butyronitrile 15.15
    3,7-dimethyl-1-octanol 15.12
    1-chlorooctane 6.38
    1-chlorotetradecane 1.81
    n-nonane 0.91
    undecane 0.66
    tert-butylcyclohexane 1.57
    cyclooctane 1.09
    cyclopentanol 13.83
    tetrahydropyran 58.15
    tert-amyl methyl ether 10.88
    2,5,8-trioxanonane 62.81
    1-hexene 4.73
    2-isopropoxyethanol 24.81
    2,2,2-trifluoroethanol 5.24
    methyl butyrate 19.19

    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