Stigmasterol 3-stearate

  • Identifiers

    CAS number
    23838-16-6

    Molecular formula
    C47H82O2

    SMILES
    CCCCCCCCCCCCCCCCCC(=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)/C=C/[C@@H](CC)C(C)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 61.63%
    Waxy 61.24%
    Oily 42.41%
    Fatty 40.45%
    Sandalwood 39.41%
    Balsamic 36.3%
    Amber 29.45%
    Green 26.73%
    Floral 25.9%
    Herbal 23.65%

     

    Flavor
    Waxy 29.29%
    Mild 24.95%
    Bland 24.47%
    Woody 22.81%
    Faint 22.43%
    Slightly waxy 20.84%
    Delicate 20.71%
    Diterpene 20.48%
    Low 20.26%
    Sandalwood 20.06%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    17.5

    pKa est.
    -75.53 (strong acid)

    Molecular weight
    679.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    635°C

    Flash point

    • -233.06 ˚C est.

  • Synonyms

    • Stigmasterol 3-stearate
    • UNII-8206201S8J
    • 18:0 Stigmasteryl ester
    • 23838-16-6
    • 8206201S8J
    • Stigmast-5,22E-dien-3beta-yl octadecanoate
    • Stigmasteryl stearate
    • STIGMASTEROL, STEARATE
    • SCHEMBL15715897
    • LMST01020053
    • STIGMASTA-5,22-DIEN-3.BETA.-OL, STEARATE
    • Q27269283
    • STEARIC ACID, STIGMASTA-5,22-DIEN-3.BETA.-YL ESTER
    • STIGMASTA-5,22-DIEN-3-OL, 3-OCTADECANOATE, (3.BETA.,22E)-
    • 23838-16-6
  • Applications

    Stigmasterol 3-stearate (CAS 23838-16-6) is a waxy plant sterol ester used in cosmetics and personal care as an emollient, conditioning agent, and structuring or thickening component in oil-based formulations; it is also employed as a bio-based plasticizer or additive in polymers and coatings to improve texture, flexibility, and gloss; in coatings and inks it can act as a lubricating oil component to aid flow and handling; in agricultural formulations it is evaluated as a carrier for active ingredients or as an adjuvant to improve formulation performance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.08
    methanol 4.55
    isopropanol 9.25
    water 0.04
    ethyl acetate 60.4
    n-propanol 20.57
    acetone 26.48
    n-butanol 26.54
    acetonitrile 7.11
    DMF 30.95
    toluene 89.91
    isobutanol 17.99
    1,4-dioxane 63.61
    methyl acetate 31.42
    THF 138.27
    2-butanone 57.99
    n-pentanol 24.58
    sec-butanol 17.16
    n-hexane 11.31
    ethylene glycol 0.57
    NMP 133.7
    cyclohexane 19.61
    DMSO 16.71
    n-butyl acetate 73.79
    n-octanol 17.43
    chloroform 192.08
    n-propyl acetate 52.85
    acetic acid 17.74
    dichloromethane 153.49
    cyclohexanone 148.66
    propylene glycol 1.67
    isopropyl acetate 61.77
    DMAc 103.61
    2-ethoxyethanol 28.5
    isopentanol 25.87
    n-heptane 9.59
    ethyl formate 18.15
    1,2-dichloroethane 81.43
    n-hexanol 29.86
    2-methoxyethanol 20.37
    isobutyl acetate 47.57
    tetrachloromethane 42.35
    n-pentyl acetate 86.84
    transcutol 110.6
    n-heptanol 25.52
    ethylbenzene 48.08
    MIBK 52.42
    2-propoxyethanol 59.14
    tert-butanol 9.53
    MTBE 33.33
    2-butoxyethanol 57.41
    propionic acid 19.81
    o-xylene 56.46
    formic acid 3.84
    diethyl ether 52.99
    m-xylene 56.55
    p-xylene 49.07
    chlorobenzene 101.94
    dimethyl carbonate 23.48
    n-octane 3.09
    formamide 5.36
    cyclopentanone 128.56
    2-pentanone 65.15
    anisole 65.18
    cyclopentyl methyl ether 115.52
    gamma-butyrolactone 115.61
    1-methoxy-2-propanol 28.64
    pyridine 94.38
    3-pentanone 72.36
    furfural 73.94
    n-dodecane 1.7
    diethylene glycol 12.54
    diisopropyl ether 23.45
    tert-amyl alcohol 16.99
    acetylacetone 63.26
    n-hexadecane 2.09
    acetophenone 68.52
    methyl propionate 54.35
    isopentyl acetate 81.07
    trichloroethylene 175.98
    n-nonanol 21.82
    cyclohexanol 41.36
    benzyl alcohol 36.08
    2-ethylhexanol 31.28
    isooctanol 24.99
    dipropyl ether 54.49
    1,2-dichlorobenzene 99.05
    ethyl lactate 23.16
    propylene carbonate 67.46
    n-methylformamide 12.78
    2-pentanol 21.18
    n-pentane 10.12
    1-propoxy-2-propanol 52.74
    1-methoxy-2-propyl acetate 92.18
    2-(2-methoxypropoxy) propanol 52.3
    mesitylene 33.72
    ε-caprolactone 162.17
    p-cymene 31.11
    epichlorohydrin 121.69
    1,1,1-trichloroethane 96.53
    2-aminoethanol 3.24
    morpholine-4-carbaldehyde 88.57
    sulfolane 120.63
    2,2,4-trimethylpentane 6.71
    2-methyltetrahydrofuran 127.03
    n-hexyl acetate 77.87
    isooctane 4.07
    2-(2-butoxyethoxy)ethanol 57.17
    sec-butyl acetate 54.8
    tert-butyl acetate 65.0
    decalin 12.28
    glycerin 3.19
    diglyme 114.71
    acrylic acid 13.67
    isopropyl myristate 29.71
    n-butyric acid 51.6
    acetyl acetate 45.69
    di(2-ethylhexyl) phthalate 34.07
    ethyl propionate 59.03
    nitromethane 24.98
    1,2-diethoxyethane 63.82
    benzonitrile 32.47
    trioctyl phosphate 21.96
    1-bromopropane 78.14
    gamma-valerolactone 165.1
    n-decanol 13.57
    triethyl phosphate 43.29
    4-methyl-2-pentanol 17.74
    propionitrile 17.07
    vinylene carbonate 61.79
    1,1,2-trichlorotrifluoroethane 59.12
    DMS 51.58
    cumene 31.26
    2-octanol 16.61
    2-hexanone 59.47
    octyl acetate 36.31
    limonene 41.76
    1,2-dimethoxyethane 51.12
    ethyl orthosilicate 48.31
    tributyl phosphate 26.55
    diacetone alcohol 43.1
    N,N-dimethylaniline 49.95
    acrylonitrile 13.93
    aniline 56.18
    1,3-propanediol 9.47
    bromobenzene 129.34
    dibromomethane 116.29
    1,1,2,2-tetrachloroethane 147.12
    2-methyl-cyclohexyl acetate 70.83
    tetrabutyl urea 37.68
    diisobutyl methanol 19.64
    2-phenylethanol 47.36
    styrene 49.85
    dioctyl adipate 47.74
    dimethyl sulfate 41.06
    ethyl butyrate 70.0
    methyl lactate 18.56
    butyl lactate 52.28
    diethyl carbonate 41.22
    propanediol butyl ether 23.78
    triethyl orthoformate 66.77
    p-tert-butyltoluene 27.81
    methyl 4-tert-butylbenzoate 80.03
    morpholine 79.61
    tert-butylamine 9.02
    n-dodecanol 8.85
    dimethoxymethane 42.49
    ethylene carbonate 60.19
    cyrene 57.77
    2-ethoxyethyl acetate 105.14
    2-ethylhexyl acetate 79.86
    1,2,4-trichlorobenzene 120.16
    4-methylpyridine 99.08
    dibutyl ether 32.72
    2,6-dimethyl-4-heptanol 19.64
    DEF 80.89
    dimethyl isosorbide 107.45
    tetrachloroethylene 100.67
    eugenol 60.18
    triacetin 81.68
    span 80 47.89
    1,4-butanediol 4.14
    1,1-dichloroethane 76.59
    2-methyl-1-pentanol 29.56
    methyl formate 9.29
    2-methyl-1-butanol 29.5
    n-decane 4.27
    butyronitrile 22.85
    3,7-dimethyl-1-octanol 20.4
    1-chlorooctane 19.88
    1-chlorotetradecane 6.18
    n-nonane 3.55
    undecane 2.49
    tert-butylcyclohexane 8.58
    cyclooctane 9.27
    cyclopentanol 31.91
    tetrahydropyran 118.41
    tert-amyl methyl ether 42.8
    2,5,8-trioxanonane 68.54
    1-hexene 31.29
    2-isopropoxyethanol 29.02
    2,2,2-trifluoroethanol 11.16
    methyl butyrate 63.86

    Scent© AI

1 of 4
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