Sitostanol

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  • Identifiers

    CAS number
    83-45-4

    Molecular formula
    C29H52O

    SMILES
    CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 79.59%
    Sandalwood 51.69%
    Waxy 45.25%
    Balsamic 43.32%
    Amber 42.59%
    Dry 38.46%
    Vetiver 34.91%
    Herbal 34.25%
    Spicy 33.57%
    Floral 32.65%

     

    Flavor
    Woody 30.06%
    Herb 26.13%
    Waxy 26.02%
    Wood 25.78%
    Spice 25.3%
    Fir needle 21.75%
    Pine 21.74%
    Mentholic 20.84%
    Sandalwood 20.82%
    Terpentine 20.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.2

    pKa est.
    7.67 (neutral)

    Molecular weight
    416.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    457°C

    Flash point

    • 222.12 ˚C est.

  • Synonyms

    • sitostanol
    • STIGMASTANOL
    • 83-45-4
    • Spinastanol
    • Dihydrositosterin
    • 5alpha-Stigmastan-3beta-ol
    • Dihydro-beta-sitosterol
    • Dihydrositosterol
    • 24alpha-Ethylcholestanol
    • 5,6-Dihydro-beta-sitosterol
    • Stigmastan-3-ol, (3beta,5alpha)-
    • C2NJ9WO6O7
    • NSC-49081
    • CHEBI:89400
    • (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • (3S,5S,8R,9S,10S,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-3-ol
    • RefChem:50712
    • DTXSID50860237
    • (3 beta,5 alpha)-stigmastan-3-ol
    • 24 alpha-ethyl-5alpha-choestan-3beta-ol
    • 201-479-0
    • Fucostanol
    • Stigmastan-3-ol, (3b,5a)-
    • beta-Sitostanol
    • (3beta,5alpha)-Stigmastan-3-ol
    • beta-Sitosterol, dihydro-
    • .beta.-Sitostanol
    • (5alpha)-stigmastan-3beta-ol
    • Dihydro-.beta.-sitosterol
    • NSC49081
    • Stigmastane-3-beta-ol
    • C29H52O
    • (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • UNII-C2NJ9WO6O7
    • Stigmastan-3-ol, (3?,5?)-
    • ss-sitostanol
    • MFCD11109453
    • Dihydro-sitosterol
    • 138126-65-5
    • EINECS 201-479-0
    • NSC 49081
    • Stigmastanol, >=95%
    • STIGMASTANOL [MI]
    • Stigmastan-3-ol,(3b)-
    • SITOSTANOL [MART.]
    • .beta.-Sitosterol, dihydro-
    • SCHEMBL133725
    • STIGMASTANOL [WHO-DD]
    • Stigmastan-3-ol,5.alpha.)-
    • CHEMBL252364
    • orb1307721
    • 5.alpha.-Stigmastan-3.beta.-ol
    • DTXSID201016169
    • 24.ALPHA.-ETHYLCHOLESTANOL
    • AAA08345
    • Stigmastan-3-ol, (3|A,5|A)-
    • LMST01040266
    • MSK000826
    • AKOS016036225
    • (3beta,5alpha,20S)-stigmastan-3-ol
    • EBC-616158
    • (1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-ol
    • MS-27267
    • HY-113494
    • CS-0062392
    • (3.BETA.,5.ALPHA.)-STIGMASTAN-3-OL
    • C19644
    • F82244
    • Q3973521
    • STIGMASTANOL (CONSTITUENT OF SAW PALMETTO) [DSC]
    • (3S,10S,13R,17R)-17-((1R,4R)-4-Ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol
    • 83-45-4

  • Applications

    Sitostanol is a plant sterol (stanol) primarily used as an ingredient in functional foods and dietary supplements for cholesterol reduction, often formulated as sitostanol esters in fat-containing products. It is also employed in cosmetics and personal care formulations as a skin-conditioning component due to its sterol structure. In pharmaceutical research and development, sitostanol can be evaluated as an intermediate for the synthesis of steroid-derived compounds. In industrial manufacturing, it may serve as a starting material for sterol-based specialty chemicals and derivatives. These applications depend on local regulations and formulation limits, and specific use will vary by region.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 37.05
    methanol 6.56
    isopropanol 34.8
    water 0.09
    ethyl acetate 59.6
    n-propanol 46.98
    acetone 61.22
    n-butanol 57.7
    acetonitrile 8.28
    DMF 37.99
    toluene 96.38
    isobutanol 35.71
    1,4-dioxane 157.17
    methyl acetate 30.26
    THF 351.6
    2-butanone 61.43
    n-pentanol 29.12
    sec-butanol 21.66
    n-hexane 6.94
    ethylene glycol 0.86
    NMP 55.35
    cyclohexane 16.17
    DMSO 20.37
    n-butyl acetate 82.07
    n-octanol 27.15
    chloroform 119.12
    n-propyl acetate 45.3
    acetic acid 13.13
    dichloromethane 77.9
    cyclohexanone 117.28
    propylene glycol 2.31
    isopropyl acetate 84.34
    DMAc 62.08
    2-ethoxyethanol 42.38
    isopentanol 55.58
    n-heptane 12.12
    ethyl formate 16.21
    1,2-dichloroethane 59.36
    n-hexanol 49.79
    2-methoxyethanol 47.0
    isobutyl acetate 52.78
    tetrachloromethane 28.84
    n-pentyl acetate 83.26
    transcutol 280.36
    n-heptanol 40.44
    ethylbenzene 33.91
    MIBK 81.9
    2-propoxyethanol 112.01
    tert-butanol 34.35
    MTBE 79.9
    2-butoxyethanol 90.94
    propionic acid 14.15
    o-xylene 47.5
    formic acid 2.38
    diethyl ether 111.66
    m-xylene 69.63
    p-xylene 36.92
    chlorobenzene 65.02
    dimethyl carbonate 20.55
    n-octane 3.36
    formamide 4.21
    cyclopentanone 121.3
    2-pentanone 82.09
    anisole 67.36
    cyclopentyl methyl ether 131.55
    gamma-butyrolactone 88.72
    1-methoxy-2-propanol 60.49
    pyridine 95.22
    3-pentanone 56.44
    furfural 57.95
    n-dodecane 1.63
    diethylene glycol 28.33
    diisopropyl ether 47.26
    tert-amyl alcohol 21.74
    acetylacetone 91.6
    n-hexadecane 2.02
    acetophenone 52.39
    methyl propionate 45.31
    isopentyl acetate 104.61
    trichloroethylene 98.82
    n-nonanol 31.67
    cyclohexanol 40.49
    benzyl alcohol 34.79
    2-ethylhexanol 40.88
    isooctanol 39.79
    dipropyl ether 95.2
    1,2-dichlorobenzene 58.15
    ethyl lactate 19.52
    propylene carbonate 48.51
    n-methylformamide 10.1
    2-pentanol 32.95
    n-pentane 10.03
    1-propoxy-2-propanol 100.27
    1-methoxy-2-propyl acetate 138.61
    2-(2-methoxypropoxy) propanol 72.3
    mesitylene 45.46
    ε-caprolactone 100.71
    p-cymene 35.86
    epichlorohydrin 115.58
    1,1,1-trichloroethane 64.35
    2-aminoethanol 4.86
    morpholine-4-carbaldehyde 84.39
    sulfolane 74.12
    2,2,4-trimethylpentane 5.71
    2-methyltetrahydrofuran 148.38
    n-hexyl acetate 80.61
    isooctane 6.94
    2-(2-butoxyethoxy)ethanol 109.5
    sec-butyl acetate 48.04
    tert-butyl acetate 108.42
    decalin 7.97
    glycerin 4.97
    diglyme 210.81
    acrylic acid 8.33
    isopropyl myristate 34.81
    n-butyric acid 49.32
    acetyl acetate 46.44
    di(2-ethylhexyl) phthalate 32.46
    ethyl propionate 43.42
    nitromethane 21.21
    1,2-diethoxyethane 127.17
    benzonitrile 32.69
    trioctyl phosphate 24.36
    1-bromopropane 52.02
    gamma-valerolactone 173.28
    n-decanol 20.52
    triethyl phosphate 35.93
    4-methyl-2-pentanol 34.08
    propionitrile 19.95
    vinylene carbonate 40.91
    1,1,2-trichlorotrifluoroethane 43.15
    DMS 44.42
    cumene 25.73
    2-octanol 23.1
    2-hexanone 46.6
    octyl acetate 38.82
    limonene 41.88
    1,2-dimethoxyethane 100.96
    ethyl orthosilicate 44.15
    tributyl phosphate 25.25
    diacetone alcohol 69.35
    N,N-dimethylaniline 45.35
    acrylonitrile 13.67
    aniline 56.69
    1,3-propanediol 21.87
    bromobenzene 77.93
    dibromomethane 62.71
    1,1,2,2-tetrachloroethane 81.6
    2-methyl-cyclohexyl acetate 67.97
    tetrabutyl urea 34.31
    diisobutyl methanol 35.19
    2-phenylethanol 59.16
    styrene 36.34
    dioctyl adipate 47.24
    dimethyl sulfate 27.67
    ethyl butyrate 73.25
    methyl lactate 17.21
    butyl lactate 53.21
    diethyl carbonate 41.55
    propanediol butyl ether 44.3
    triethyl orthoformate 76.19
    p-tert-butyltoluene 36.42
    methyl 4-tert-butylbenzoate 83.65
    morpholine 152.62
    tert-butylamine 27.86
    n-dodecanol 13.44
    dimethoxymethane 100.99
    ethylene carbonate 41.46
    cyrene 48.73
    2-ethoxyethyl acetate 117.56
    2-ethylhexyl acetate 83.89
    1,2,4-trichlorobenzene 68.92
    4-methylpyridine 88.66
    dibutyl ether 48.45
    2,6-dimethyl-4-heptanol 35.19
    DEF 58.27
    dimethyl isosorbide 133.16
    tetrachloroethylene 58.36
    eugenol 68.22
    triacetin 78.27
    span 80 58.73
    1,4-butanediol 5.71
    1,1-dichloroethane 55.03
    2-methyl-1-pentanol 29.77
    methyl formate 7.94
    2-methyl-1-butanol 41.37
    n-decane 4.48
    butyronitrile 32.86
    3,7-dimethyl-1-octanol 33.86
    1-chlorooctane 19.71
    1-chlorotetradecane 5.88
    n-nonane 3.76
    undecane 2.49
    tert-butylcyclohexane 7.36
    cyclooctane 7.4
    cyclopentanol 33.39
    tetrahydropyran 190.04
    tert-amyl methyl ether 47.37
    2,5,8-trioxanonane 115.81
    1-hexene 20.01
    2-isopropoxyethanol 43.04
    2,2,2-trifluoroethanol 7.21
    methyl butyrate 45.51

    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