Sitosterol palmitate

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  • Identifiers

    CAS number
    2308-85-2

    Molecular formula
    C45H80O2

    SMILES
    CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CC[C@@H](CC)C(C)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 64.41%
    Woody 60.31%
    Oily 40.61%
    Fatty 40.08%
    Sandalwood 38.64%
    Balsamic 37.22%
    Amber 31.63%
    Floral 27.01%
    Dry 24.85%
    Animal 24.27%

     

    Flavor
    Waxy 33.3%
    Mild 29.08%
    Bland 26.3%
    Faint 22.67%
    Oily 22.27%
    Slightly waxy 21.76%
    Fatty 21.16%
    Delicate 21.12%
    Woody 20.84%
    Sandalwood 20.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    17.2

    pKa est.
    -9.57 (strong acid)

    Molecular weight
    653.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    613°C

    Flash point

    • 108.71 ˚C est.

  • Synonyms

    • 2308-85-2
    • beta-Sitosteryl palmitate
    • Sitosterol palmitate
    • LEB596GYDL
    • Sitosteryl palmitate, (+)-
    • beta-Rosasterol palmitate
    • Stigmast-5-en-3beta-ol, palmitate
    • DTXSID601315058
    • Stigmast-5-en-3-ol, 3-hexadecanoate, (3beta)-
    • [(3S,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]phenanthren-3-yl] hexadecanoate
    • ((3S,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)phenanthren-3-yl) hexadecanoate
    • RefChem:931815
    • DTXCID101744973
    • Sitosteryl palmitate
    • beta-Sitosterol palmitate
    • 16:0 Sitosteryl ester
    • UNII-LEB596GYDL
    • Stigmast-5-en-3beta-yl hexadecanoate
    • caffeoyl pentose
    • beta-sitosterol plamitate
    • SCHEMBL4739259
    • .BETA.-ROSASTEROL PALMITATE
    • .BETA.-SITOSTERYL PALMITATE
    • HY-N1237
    • LMST01020047
    • AKOS032962160
    • FS-9628
    • CS-0016638
    • STIGMAST-5-EN-3.BETA.-OL, PALMITATE
    • Q27896637
    • STIGMAST-5-EN-3-OL, 3-HEXADECANOATE, (3.BETA.)-
    • Sitosterol palmitate;-Sitosterol hexadecanoate; -Sitosteryl palmitate
    • 2308-85-2

  • Applications

    Sitosterol palmitate (CAS 2308-85-2) is used primarily in cosmetics and personal care as an emollient and conditioning agent, helping to soften skin and hair and to improve texture, feel, and gloss in creams, lotions, and conditioners. It can act as a wax-like lipophilic ester that contributes to rheology and stability in wax formulations and polymer blends. It is also employed in coatings and inks as a lipophilic additive or wax component to enhance slip and surface finish. In household products it may appear as a conditioning or smoothing ingredient in cleaners and detergents. In pharmaceuticals it may serve as an excipient or lubricant in lipid-based formulations or solid dosage forms, depending on formulation and local regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.36
    methanol 6.53
    isopropanol 13.26
    water 0.06
    ethyl acetate 67.08
    n-propanol 27.84
    acetone 33.67
    n-butanol 34.21
    acetonitrile 9.08
    DMF 39.67
    toluene 96.35
    isobutanol 23.7
    1,4-dioxane 81.44
    methyl acetate 37.05
    THF 166.46
    2-butanone 66.24
    n-pentanol 29.8
    sec-butanol 21.19
    n-hexane 10.76
    ethylene glycol 0.82
    NMP 148.16
    cyclohexane 20.51
    DMSO 20.76
    n-butyl acetate 83.46
    n-octanol 20.88
    chloroform 212.17
    n-propyl acetate 59.07
    acetic acid 22.47
    dichloromethane 170.58
    cyclohexanone 164.99
    propylene glycol 2.3
    isopropyl acetate 70.44
    DMAc 118.33
    2-ethoxyethanol 37.22
    isopentanol 32.96
    n-heptane 9.71
    ethyl formate 21.93
    1,2-dichloroethane 92.59
    n-hexanol 35.53
    2-methoxyethanol 28.44
    isobutyl acetate 53.89
    tetrachloromethane 47.14
    n-pentyl acetate 100.7
    transcutol 151.79
    n-heptanol 31.03
    ethylbenzene 48.96
    MIBK 61.54
    2-propoxyethanol 74.26
    tert-butanol 12.61
    MTBE 39.58
    2-butoxyethanol 71.76
    propionic acid 23.61
    o-xylene 58.86
    formic acid 5.05
    diethyl ether 62.78
    m-xylene 60.49
    p-xylene 50.45
    chlorobenzene 111.96
    dimethyl carbonate 26.97
    n-octane 3.09
    formamide 6.96
    cyclopentanone 146.66
    2-pentanone 74.42
    anisole 72.86
    cyclopentyl methyl ether 128.17
    gamma-butyrolactone 131.87
    1-methoxy-2-propanol 38.2
    pyridine 108.75
    3-pentanone 77.02
    furfural 87.32
    n-dodecane 1.69
    diethylene glycol 17.01
    diisopropyl ether 26.0
    tert-amyl alcohol 19.98
    acetylacetone 75.41
    n-hexadecane 2.08
    acetophenone 75.13
    methyl propionate 60.83
    isopentyl acetate 91.95
    trichloroethylene 189.49
    n-nonanol 25.76
    cyclohexanol 46.82
    benzyl alcohol 42.77
    2-ethylhexanol 34.97
    isooctanol 29.86
    dipropyl ether 60.52
    1,2-dichlorobenzene 106.89
    ethyl lactate 26.53
    propylene carbonate 76.77
    n-methylformamide 16.41
    2-pentanol 25.67
    n-pentane 10.39
    1-propoxy-2-propanol 65.25
    1-methoxy-2-propyl acetate 107.09
    2-(2-methoxypropoxy) propanol 62.57
    mesitylene 36.25
    ε-caprolactone 177.42
    p-cymene 33.83
    epichlorohydrin 142.51
    1,1,1-trichloroethane 105.58
    2-aminoethanol 4.63
    morpholine-4-carbaldehyde 106.91
    sulfolane 135.78
    2,2,4-trimethylpentane 6.76
    2-methyltetrahydrofuran 142.84
    n-hexyl acetate 89.59
    isooctane 4.26
    2-(2-butoxyethoxy)ethanol 72.59
    sec-butyl acetate 60.35
    tert-butyl acetate 75.18
    decalin 11.93
    glycerin 4.49
    diglyme 146.58
    acrylic acid 16.66
    isopropyl myristate 33.51
    n-butyric acid 61.43
    acetyl acetate 52.75
    di(2-ethylhexyl) phthalate 39.1
    ethyl propionate 63.46
    nitromethane 31.68
    1,2-diethoxyethane 78.89
    benzonitrile 38.7
    trioctyl phosphate 25.12
    1-bromopropane 83.03
    gamma-valerolactone 197.57
    n-decanol 15.72
    triethyl phosphate 46.42
    4-methyl-2-pentanol 21.18
    propionitrile 20.31
    vinylene carbonate 70.38
    1,1,2-trichlorotrifluoroethane 70.76
    DMS 58.44
    cumene 32.14
    2-octanol 19.38
    2-hexanone 64.5
    octyl acetate 41.0
    limonene 44.72
    1,2-dimethoxyethane 63.53
    ethyl orthosilicate 51.83
    tributyl phosphate 30.2
    diacetone alcohol 51.75
    N,N-dimethylaniline 53.37
    acrylonitrile 16.78
    aniline 63.37
    1,3-propanediol 13.52
    bromobenzene 137.15
    dibromomethane 126.59
    1,1,2,2-tetrachloroethane 161.04
    2-methyl-cyclohexyl acetate 77.33
    tetrabutyl urea 42.44
    diisobutyl methanol 22.22
    2-phenylethanol 54.98
    styrene 52.27
    dioctyl adipate 54.59
    dimethyl sulfate 46.72
    ethyl butyrate 77.53
    methyl lactate 22.3
    butyl lactate 62.27
    diethyl carbonate 45.85
    propanediol butyl ether 31.22
    triethyl orthoformate 74.01
    p-tert-butyltoluene 30.34
    methyl 4-tert-butylbenzoate 91.22
    morpholine 100.51
    tert-butylamine 11.55
    n-dodecanol 10.08
    dimethoxymethane 52.8
    ethylene carbonate 69.28
    cyrene 67.59
    2-ethoxyethyl acetate 127.5
    2-ethylhexyl acetate 89.16
    1,2,4-trichlorobenzene 129.07
    4-methylpyridine 111.75
    dibutyl ether 36.71
    2,6-dimethyl-4-heptanol 22.22
    DEF 90.34
    dimethyl isosorbide 127.64
    tetrachloroethylene 110.09
    eugenol 70.6
    triacetin 97.44
    span 80 58.09
    1,4-butanediol 5.58
    1,1-dichloroethane 84.9
    2-methyl-1-pentanol 33.85
    methyl formate 11.79
    2-methyl-1-butanol 36.2
    n-decane 4.37
    butyronitrile 27.3
    3,7-dimethyl-1-octanol 24.15
    1-chlorooctane 21.45
    1-chlorotetradecane 6.43
    n-nonane 3.61
    undecane 2.5
    tert-butylcyclohexane 8.43
    cyclooctane 9.11
    cyclopentanol 38.15
    tetrahydropyran 136.41
    tert-amyl methyl ether 46.6
    2,5,8-trioxanonane 85.95
    1-hexene 31.27
    2-isopropoxyethanol 36.16
    2,2,2-trifluoroethanol 14.3
    methyl butyrate 71.12

    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