gamma-Sitosterol

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  • Identifiers

    CAS number
    83-47-6

    Molecular formula
    C29H50O

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 81.55%
    Sandalwood 54.06%
    Balsamic 43.64%
    Waxy 42.65%
    Amber 42.54%
    Dry 38.11%
    Vetiver 35.01%
    Spicy 34.84%
    Herbal 32.57%
    Floral 32.05%

     

    Flavor
    Woody 36.91%
    Wood 32.47%
    Herb 31.86%
    Spice 29.22%
    Waxy 26.34%
    Herbal 25.18%
    Fir needle 22.28%
    Pine 21.66%
    Sandalwood 21.49%
    Terpentine 21.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.3

    pKa est.
    7.93 (neutral)

    Molecular weight
    414.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    482°C

    Melting point expt.

    • 147 °C

    Flash point

    • 219.03 ˚C est.

  • Synonyms

    • Clionasterol
    • GAMMA-SITOSTEROL
    • 83-47-6
    • beta-Dihydrofucosterol
    • 22,23-Dihydroporiferasterol
    • 24beta-Ethylcholesterol
    • Poriferast-5-en-3beta-ol
    • (3beta,24S)-Stigmast-5-en-3-ol
    • (24S)-stigmast-5-en-3beta-ol
    • 5LI01C78DD
    • 24-ethylcholest-5-en-3 beta-ol
    • Stigmast-5-en-3-ol, (3beta,24S)-
    • CHEBI:132823
    • 24S-Ethylcholest-5-en-3beta-ol
    • DTXSID801015721
    • (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-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]phenanthren-3-ol
    • 3beta-Sitosterol
    • (3S,8S,9S,10R,13R,14S,17R)-17-((2R,5S)-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)phenanthren-3-ol
    • RefChem:639604
    • 3beta-stigmast-5-en-3-ol
    • DTXCID301473910
    • 201-481-1
    • .gamma.-Sitosterol
    • .beta.-Dihydrofucosterol
    • 24.beta.-Ethylcholesterol
    • Fucosterol, .beta.-dihydro-
    • Stigmast-5-en-3-ol, (3.beta.,24S)-
    • 24S-Ethylcholest-5-en-3.beta.-ol
    • Stigmast-5-en-3.beta.-ol, (24S)-
    • Stigmasterol, 22,23-dihydro-
    • .beta.-Sitosterin
    • .beta.-Sitosterol
    • 24.alpha.-Ethylcholesterol
    • Stigmast-5-en-3.beta.-ol
    • UNII-5LI01C78DD
    • g-Sitosterol
    • Stigmast-5-en-3-ol, (3.beta.)-
    • b-Dihydrofucosterol
    • EINECS 201-481-1
    • 24b-Ethylcholesterol
    • bmse000477
    • SCHEMBL219424
    • 24b-Ethylcholest-5-en-3b-ol
    • orb2943127
    • 24S-Ethylcholest-5-en-3b-ol
    • .GAMMA.-SITOSTEROL [MI]
    • KZJWDPNRJALLNS-FBZNIEFRSA-N
    • 24beta-Ethyl-5-cholesten-3beta-ol
    • (3b,24S)-Stigmast-5-En-3-Ol
    • HY-N12563
    • LMST01040122
    • AKOS025401337
    • 24.beta.-Ethyl-5-cholesten-3.beta.-ol
    • AC-11107
    • AC-34227
    • FS165756
    • (24S)-STIGMAST-5-EN-3.BETA.-OL
    • NS00076592
    • (3.BETA.,24S)-STIGMAST-5-EN-3-OL
    • C19654
    • 24.BETA.-ETHYLCHOLEST-5-EN-3.BETA.-OL
    • Q27262523
    • 8295076E-C876-4B41-ADF5-02A644EEA34F
    • 83-47-6

  • Applications

    gamma-Sitosterol (CAS 83-47-6) is commonly used as a skin-conditioning emollient in cosmetics and personal care; it is often evaluated as a phytosterol ingredient in food processing for cholesterol-lowering formulations; it can serve as a precursor or intermediate in the synthesis of steroidal compounds in pharmaceutical manufacturing; and in industrial manufacturing it is used as a raw material for producing sterol-derived intermediates and related compounds, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.53
    methanol 3.07
    isopropanol 16.74
    water 0.04
    ethyl acetate 33.51
    n-propanol 24.22
    acetone 28.86
    n-butanol 34.0
    acetonitrile 3.37
    DMF 15.81
    toluene 75.09
    isobutanol 20.27
    1,4-dioxane 78.14
    methyl acetate 15.28
    THF 141.19
    2-butanone 33.56
    n-pentanol 19.85
    sec-butanol 11.89
    n-hexane 4.68
    ethylene glycol 0.42
    NMP 31.72
    cyclohexane 10.79
    DMSO 8.24
    n-butyl acetate 49.89
    n-octanol 17.35
    chloroform 79.08
    n-propyl acetate 26.2
    acetic acid 6.65
    dichloromethane 46.62
    cyclohexanone 68.13
    propylene glycol 1.14
    isopropyl acetate 45.89
    DMAc 36.1
    2-ethoxyethanol 24.08
    isopentanol 35.38
    n-heptane 7.59
    ethyl formate 8.23
    1,2-dichloroethane 33.74
    n-hexanol 32.72
    2-methoxyethanol 23.08
    isobutyl acetate 32.13
    tetrachloromethane 17.63
    n-pentyl acetate 52.26
    transcutol 196.64
    n-heptanol 26.98
    ethylbenzene 26.85
    MIBK 48.89
    2-propoxyethanol 68.31
    tert-butanol 16.44
    MTBE 39.87
    2-butoxyethanol 56.31
    propionic acid 7.1
    o-xylene 36.03
    formic acid 1.32
    diethyl ether 61.38
    m-xylene 52.11
    p-xylene 27.54
    chlorobenzene 42.87
    dimethyl carbonate 10.51
    n-octane 2.02
    formamide 2.08
    cyclopentanone 61.34
    2-pentanone 47.44
    anisole 48.16
    cyclopentyl methyl ether 71.99
    gamma-butyrolactone 38.63
    1-methoxy-2-propanol 32.04
    pyridine 58.24
    3-pentanone 35.34
    furfural 30.48
    n-dodecane 1.07
    diethylene glycol 16.06
    diisopropyl ether 25.82
    tert-amyl alcohol 11.82
    acetylacetone 48.76
    n-hexadecane 1.33
    acetophenone 36.96
    methyl propionate 25.7
    isopentyl acetate 66.6
    trichloroethylene 63.13
    n-nonanol 21.64
    cyclohexanol 24.75
    benzyl alcohol 23.24
    2-ethylhexanol 28.81
    isooctanol 26.88
    dipropyl ether 57.33
    1,2-dichlorobenzene 38.77
    ethyl lactate 11.25
    propylene carbonate 23.32
    n-methylformamide 4.62
    2-pentanol 20.59
    n-pentane 6.79
    1-propoxy-2-propanol 61.96
    1-methoxy-2-propyl acetate 83.76
    2-(2-methoxypropoxy) propanol 52.11
    mesitylene 32.11
    ε-caprolactone 60.55
    p-cymene 26.7
    epichlorohydrin 56.87
    1,1,1-trichloroethane 38.16
    2-aminoethanol 2.38
    morpholine-4-carbaldehyde 48.84
    sulfolane 34.33
    2,2,4-trimethylpentane 3.64
    2-methyltetrahydrofuran 70.99
    n-hexyl acetate 51.21
    isooctane 4.2
    2-(2-butoxyethoxy)ethanol 75.16
    sec-butyl acetate 30.07
    tert-butyl acetate 61.17
    decalin 5.73
    glycerin 2.6
    diglyme 133.31
    acrylic acid 4.32
    isopropyl myristate 23.76
    n-butyric acid 27.69
    acetyl acetate 25.9
    di(2-ethylhexyl) phthalate 24.36
    ethyl propionate 26.56
    nitromethane 9.68
    1,2-diethoxyethane 78.72
    benzonitrile 20.52
    trioctyl phosphate 16.8
    1-bromopropane 33.75
    gamma-valerolactone 92.05
    n-decanol 14.24
    triethyl phosphate 24.31
    4-methyl-2-pentanol 22.13
    propionitrile 10.07
    vinylene carbonate 21.78
    1,1,2-trichlorotrifluoroethane 25.1
    DMS 26.53
    cumene 19.63
    2-octanol 15.32
    2-hexanone 29.76
    octyl acetate 26.15
    limonene 30.75
    1,2-dimethoxyethane 54.4
    ethyl orthosilicate 30.88
    tributyl phosphate 17.03
    diacetone alcohol 41.0
    N,N-dimethylaniline 34.79
    acrylonitrile 7.11
    aniline 39.71
    1,3-propanediol 11.03
    bromobenzene 54.95
    dibromomethane 39.7
    1,1,2,2-tetrachloroethane 52.35
    2-methyl-cyclohexyl acetate 46.97
    tetrabutyl urea 24.7
    diisobutyl methanol 23.07
    2-phenylethanol 42.16
    styrene 27.76
    dioctyl adipate 33.08
    dimethyl sulfate 13.95
    ethyl butyrate 44.35
    methyl lactate 9.5
    butyl lactate 34.24
    diethyl carbonate 25.94
    propanediol butyl ether 27.09
    triethyl orthoformate 49.65
    p-tert-butyltoluene 26.24
    methyl 4-tert-butylbenzoate 56.96
    morpholine 75.89
    tert-butylamine 14.38
    n-dodecanol 9.29
    dimethoxymethane 47.56
    ethylene carbonate 21.99
    cyrene 34.4
    2-ethoxyethyl acetate 75.45
    2-ethylhexyl acetate 57.4
    1,2,4-trichlorobenzene 47.64
    4-methylpyridine 58.16
    dibutyl ether 29.34
    2,6-dimethyl-4-heptanol 23.07
    DEF 35.2
    dimethyl isosorbide 86.36
    tetrachloroethylene 37.83
    eugenol 50.16
    triacetin 50.74
    span 80 41.51
    1,4-butanediol 3.23
    1,1-dichloroethane 31.2
    2-methyl-1-pentanol 22.26
    methyl formate 3.44
    2-methyl-1-butanol 26.68
    n-decane 2.87
    butyronitrile 17.48
    3,7-dimethyl-1-octanol 23.22
    1-chlorooctane 12.71
    1-chlorotetradecane 3.87
    n-nonane 2.4
    undecane 1.63
    tert-butylcyclohexane 5.07
    cyclooctane 4.81
    cyclopentanol 15.92
    tetrahydropyran 99.28
    tert-amyl methyl ether 26.83
    2,5,8-trioxanonane 78.8
    1-hexene 13.43
    2-isopropoxyethanol 25.95
    2,2,2-trifluoroethanol 3.48
    methyl butyrate 26.48

    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