7alpha-Hydroxysitosterol

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  • Identifiers

    CAS number
    34427-61-7

    Molecular formula
    C29H50O2

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 76.27%
    Sandalwood 51.6%
    Balsamic 46.26%
    Amber 41.97%
    Spicy 41.86%
    Dry 35.83%
    Herbal 34.04%
    Cedar 31.87%
    Vetiver 31.54%
    Sweet 29.62%

     

    Flavor
    Herb 34.47%
    Herbal 33.63%
    Woody 32.47%
    Spice 28.89%
    Wood 27.86%
    Waxy 24.15%
    Cedarleaf 22.2%
    Green tea 21.57%
    Sandalwood 21.31%
    Mentholic 21.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.2

    pKa est.
    7.66 (neutral)

    Molecular weight
    430.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    230°C

    Flash point

    • 232.61 ˚C est.

  • Synonyms

    • Hydroxysitosterol
    • 34427-61-7
    • 7alpha-Hydroxysitosterol
    • 7-hydroxysitosterol
    • (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
    • (3S,7S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthrene-3,7-diol
    • RefChem:914433
    • Ikshusterol
    • stigmast-5-ene-3beta,7alpha-diol
    • (3beta,7alpha)-stigmast-5-ene-3,7-diol
    • 7alpha-hydroxy sitosterol
    • SCHEMBL6360492
    • CHEBI:67594
    • DTXSID101034005
    • HY-N4017
    • AKOS040761859
    • FS-9783
    • CS-0024445
    • Stigmast-5-ene-3,7-diol, (3beta,7alpha)-
    • Stigmast-5-ene-3,7-diol, (3.beta.,7.alpha.)-
    • Q27136063
    • Stigmast-5-ene-3,7-diol (8CI); (3,7)-Stigmast-5-ene-3,7-diol; 3,7-Dihydroxystigmast-5-ene; 7-Hydroxy--sitosterol; 7-Hydroxysitosterol
    • 34427-61-7

  • Applications

    7alpha-Hydroxysitosterol (CAS 34427-61-7) is primarily used as an intermediate and building block in the synthesis of steroidal compounds for pharmaceutical chemistry, serving as a starting point for certain semi-synthetic steroid products. In cosmetics/personal care, it is used as a specialty plant-sterol component in formulations and can function as a precursor for cosmetic-active ingredients. In industrial fine chemical manufacturing, it can serve as a chiral building block for organic syntheses related to steroid-derived intermediates. In fragrance and perfumery, it is occasionally evaluated as a fragrance intermediate for sterol-related scent components. Its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.7
    methanol 3.69
    isopropanol 9.73
    water 0.04
    ethyl acetate 17.36
    n-propanol 15.27
    acetone 17.94
    n-butanol 18.02
    acetonitrile 2.18
    DMF 17.12
    toluene 26.72
    isobutanol 11.5
    1,4-dioxane 44.94
    methyl acetate 9.31
    THF 88.22
    2-butanone 18.54
    n-pentanol 12.22
    sec-butanol 5.99
    n-hexane 1.41
    ethylene glycol 0.56
    NMP 28.42
    cyclohexane 2.37
    DMSO 10.09
    n-butyl acetate 23.99
    n-octanol 11.76
    chloroform 38.93
    n-propyl acetate 13.51
    acetic acid 6.68
    dichloromethane 20.91
    cyclohexanone 38.44
    propylene glycol 1.32
    isopropyl acetate 22.09
    DMAc 34.39
    2-ethoxyethanol 19.02
    isopentanol 17.04
    n-heptane 2.22
    ethyl formate 5.3
    1,2-dichloroethane 15.49
    n-hexanol 18.85
    2-methoxyethanol 20.39
    isobutyl acetate 16.12
    tetrachloromethane 8.55
    n-pentyl acetate 30.55
    transcutol 110.89
    n-heptanol 18.2
    ethylbenzene 11.42
    MIBK 23.79
    2-propoxyethanol 50.75
    tert-butanol 9.08
    MTBE 15.41
    2-butoxyethanol 44.36
    propionic acid 6.07
    o-xylene 14.38
    formic acid 1.85
    diethyl ether 22.02
    m-xylene 19.96
    p-xylene 12.03
    chlorobenzene 20.03
    dimethyl carbonate 8.89
    n-octane 0.71
    formamide 2.62
    cyclopentanone 41.4
    2-pentanone 23.85
    anisole 24.9
    cyclopentyl methyl ether 34.35
    gamma-butyrolactone 30.78
    1-methoxy-2-propanol 26.39
    pyridine 32.29
    3-pentanone 18.06
    furfural 22.79
    n-dodecane 0.38
    diethylene glycol 15.47
    diisopropyl ether 8.86
    tert-amyl alcohol 6.04
    acetylacetone 30.1
    n-hexadecane 0.47
    acetophenone 21.7
    methyl propionate 15.62
    isopentyl acetate 32.13
    trichloroethylene 33.18
    n-nonanol 14.47
    cyclohexanol 12.17
    benzyl alcohol 16.19
    2-ethylhexanol 14.5
    isooctanol 16.12
    dipropyl ether 22.0
    1,2-dichlorobenzene 18.22
    ethyl lactate 8.53
    propylene carbonate 15.75
    n-methylformamide 5.22
    2-pentanol 8.94
    n-pentane 1.71
    1-propoxy-2-propanol 40.88
    1-methoxy-2-propyl acetate 46.65
    2-(2-methoxypropoxy) propanol 33.75
    mesitylene 11.57
    ε-caprolactone 34.14
    p-cymene 10.98
    epichlorohydrin 34.91
    1,1,1-trichloroethane 17.37
    2-aminoethanol 2.66
    morpholine-4-carbaldehyde 39.77
    sulfolane 31.28
    2,2,4-trimethylpentane 1.13
    2-methyltetrahydrofuran 32.93
    n-hexyl acetate 30.32
    isooctane 1.21
    2-(2-butoxyethoxy)ethanol 50.46
    sec-butyl acetate 13.66
    tert-butyl acetate 28.21
    decalin 1.84
    glycerin 3.22
    diglyme 84.5
    acrylic acid 4.48
    isopropyl myristate 11.75
    n-butyric acid 17.81
    acetyl acetate 15.09
    di(2-ethylhexyl) phthalate 15.42
    ethyl propionate 13.66
    nitromethane 9.26
    1,2-diethoxyethane 34.71
    benzonitrile 11.72
    trioctyl phosphate 10.99
    1-bromopropane 11.66
    gamma-valerolactone 64.26
    n-decanol 8.84
    triethyl phosphate 12.53
    4-methyl-2-pentanol 10.12
    propionitrile 5.94
    vinylene carbonate 15.67
    1,1,2-trichlorotrifluoroethane 21.76
    DMS 17.7
    cumene 8.54
    2-octanol 9.53
    2-hexanone 16.44
    octyl acetate 14.65
    limonene 12.1
    1,2-dimethoxyethane 35.35
    ethyl orthosilicate 15.26
    tributyl phosphate 9.97
    diacetone alcohol 25.71
    N,N-dimethylaniline 18.71
    acrylonitrile 5.31
    aniline 20.95
    1,3-propanediol 9.64
    bromobenzene 22.29
    dibromomethane 16.93
    1,1,2,2-tetrachloroethane 28.4
    2-methyl-cyclohexyl acetate 22.47
    tetrabutyl urea 15.13
    diisobutyl methanol 10.32
    2-phenylethanol 26.64
    styrene 11.66
    dioctyl adipate 17.85
    dimethyl sulfate 13.4
    ethyl butyrate 20.3
    methyl lactate 8.98
    butyl lactate 24.87
    diethyl carbonate 11.98
    propanediol butyl ether 24.35
    triethyl orthoformate 23.1
    p-tert-butyltoluene 10.81
    methyl 4-tert-butylbenzoate 36.24
    morpholine 45.14
    tert-butylamine 6.42
    n-dodecanol 5.19
    dimethoxymethane 36.53
    ethylene carbonate 14.85
    cyrene 27.87
    2-ethoxyethyl acetate 45.78
    2-ethylhexyl acetate 26.2
    1,2,4-trichlorobenzene 24.08
    4-methylpyridine 29.5
    dibutyl ether 11.45
    2,6-dimethyl-4-heptanol 10.32
    DEF 21.16
    dimethyl isosorbide 55.35
    tetrachloroethylene 20.64
    eugenol 35.63
    triacetin 32.45
    span 80 29.05
    1,4-butanediol 3.17
    1,1-dichloroethane 13.89
    2-methyl-1-pentanol 11.79
    methyl formate 3.73
    2-methyl-1-butanol 13.15
    n-decane 1.04
    butyronitrile 8.93
    3,7-dimethyl-1-octanol 12.36
    1-chlorooctane 5.46
    1-chlorotetradecane 1.49
    n-nonane 0.86
    undecane 0.58
    tert-butylcyclohexane 1.64
    cyclooctane 1.27
    cyclopentanol 10.3
    tetrahydropyran 41.24
    tert-amyl methyl ether 11.12
    2,5,8-trioxanonane 49.65
    1-hexene 4.75
    2-isopropoxyethanol 18.3
    2,2,2-trifluoroethanol 3.67
    methyl butyrate 14.49

    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