Lupeol palmitate

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  • Identifiers

    CAS number
    32214-80-5

    Molecular formula
    C46H80O2

    SMILES
    CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@H]5[C@@H](CC[C@@]5(CC[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)C)C(=C)C)C

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  • Odor profile

    Fragrance
    Woody 75.77%
    Waxy 52.83%
    Sandalwood 45.55%
    Amber 43.2%
    Fatty 39.66%
    Balsamic 36.62%
    Dry 35.58%
    Oily 34.0%
    Sweet 28.76%
    Vetiver 28.43%

     

    Flavor
    Woody 47.79%
    Waxy 31.64%
    Balsam 28.82%
    Mild 27.36%
    Wood 26.69%
    Sweet 22.87%
    Sandalwood 22.61%
    Fir needle 22.37%
    Balsamic 21.78%
    Low 21.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    17.8

    pKa est.
    -27.65 (strong acid)

    Molecular weight
    665.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    625°C

    Flash point

    • -19.84 ˚C est.

  • Synonyms

    • Lupeol palmitate
    • 32214-80-5
    • Lupenyl palmitate
    • [(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] hexadecanoate
    • ((1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta(a)chrysen-9-yl) hexadecanoate
    • RefChem:924991
    • Lup-20(29)-en-3-ol, hexadecanoate, (3beta)-
    • Balanophorin B
    • SCHEMBL564480
    • orb1684951
    • DTXSID20954056
    • HY-N3356
    • Lup-20(29)-en-3-yl hexadecanoate
    • AKOS040760148
    • EBC-617318
    • FS-8826
    • Lup-20(29)-en-3beta-yl hexadecanoate
    • (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-yl hexadecanoate
    • DA-75158
    • CS-0023975
    • E87191
    • 32214-80-5

  • Applications

    Lupeol palmitate (CAS 32214-80-5) is a lipophilic lupeol ester used primarily in cosmetics and personal care as an emollient and skin-conditioning ingredient for creams and oils; it can serve as a lipid-like base component in formulations; in the polymer and plastics sector it may be used as a processing additive to improve compatibility and flow of oil-rich components; in coatings and inks it can contribute to film formation and gloss properties of coatings; and it is also studied as an intermediate in the synthesis of triterpene esters and derivatives to support development of natural-product-based ingredients, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.46
    methanol 6.93
    isopropanol 15.9
    water 0.06
    ethyl acetate 37.88
    n-propanol 28.48
    acetone 30.72
    n-butanol 30.92
    acetonitrile 11.16
    DMF 47.33
    toluene 59.78
    isobutanol 23.81
    1,4-dioxane 56.98
    methyl acetate 25.26
    THF 153.81
    2-butanone 47.97
    n-pentanol 27.63
    sec-butanol 20.73
    n-hexane 3.64
    ethylene glycol 1.17
    NMP 113.33
    cyclohexane 4.88
    DMSO 23.63
    n-butyl acetate 43.98
    n-octanol 15.91
    chloroform 144.76
    n-propyl acetate 33.15
    acetic acid 21.2
    dichloromethane 93.89
    cyclohexanone 101.29
    propylene glycol 3.85
    isopropyl acetate 39.34
    DMAc 96.42
    2-ethoxyethanol 31.56
    isopentanol 27.87
    n-heptane 2.84
    ethyl formate 15.78
    1,2-dichloroethane 51.62
    n-hexanol 26.89
    2-methoxyethanol 28.38
    isobutyl acetate 33.91
    tetrachloromethane 27.85
    n-pentyl acetate 63.56
    transcutol 86.84
    n-heptanol 24.57
    ethylbenzene 27.99
    MIBK 40.01
    2-propoxyethanol 63.67
    tert-butanol 14.32
    MTBE 25.58
    2-butoxyethanol 60.0
    propionic acid 21.42
    o-xylene 31.08
    formic acid 4.84
    diethyl ether 34.21
    m-xylene 38.21
    p-xylene 30.45
    chlorobenzene 70.45
    dimethyl carbonate 23.37
    n-octane 1.11
    formamide 7.37
    cyclopentanone 115.47
    2-pentanone 49.88
    anisole 50.08
    cyclopentyl methyl ether 76.46
    gamma-butyrolactone 98.34
    1-methoxy-2-propanol 41.82
    pyridine 90.34
    3-pentanone 46.2
    furfural 77.64
    n-dodecane 0.54
    diethylene glycol 17.88
    diisopropyl ether 13.11
    tert-amyl alcohol 18.34
    acetylacetone 52.11
    n-hexadecane 0.67
    acetophenone 53.19
    methyl propionate 40.82
    isopentyl acetate 52.37
    trichloroethylene 126.82
    n-nonanol 18.87
    cyclohexanol 31.76
    benzyl alcohol 37.95
    2-ethylhexanol 21.01
    isooctanol 22.92
    dipropyl ether 31.18
    1,2-dichlorobenzene 67.4
    ethyl lactate 20.8
    propylene carbonate 55.1
    n-methylformamide 18.33
    2-pentanol 21.98
    n-pentane 3.52
    1-propoxy-2-propanol 54.25
    1-methoxy-2-propyl acetate 69.02
    2-(2-methoxypropoxy) propanol 42.97
    mesitylene 20.46
    ε-caprolactone 101.86
    p-cymene 18.2
    epichlorohydrin 108.58
    1,1,1-trichloroethane 64.06
    2-aminoethanol 6.23
    morpholine-4-carbaldehyde 88.87
    sulfolane 107.33
    2,2,4-trimethylpentane 2.63
    2-methyltetrahydrofuran 84.57
    n-hexyl acetate 55.44
    isooctane 1.87
    2-(2-butoxyethoxy)ethanol 51.74
    sec-butyl acetate 31.65
    tert-butyl acetate 45.25
    decalin 3.97
    glycerin 6.32
    diglyme 94.91
    acrylic acid 18.4
    isopropyl myristate 19.25
    n-butyric acid 43.67
    acetyl acetate 31.16
    di(2-ethylhexyl) phthalate 27.95
    ethyl propionate 35.27
    nitromethane 32.02
    1,2-diethoxyethane 41.33
    benzonitrile 34.7
    trioctyl phosphate 18.55
    1-bromopropane 39.8
    gamma-valerolactone 156.24
    n-decanol 10.87
    triethyl phosphate 26.41
    4-methyl-2-pentanol 16.39
    propionitrile 21.9
    vinylene carbonate 55.87
    1,1,2-trichlorotrifluoroethane 61.88
    DMS 38.73
    cumene 17.88
    2-octanol 15.22
    2-hexanone 41.18
    octyl acetate 24.28
    limonene 20.88
    1,2-dimethoxyethane 50.96
    ethyl orthosilicate 29.26
    tributyl phosphate 19.84
    diacetone alcohol 42.22
    N,N-dimethylaniline 36.67
    acrylonitrile 20.79
    aniline 47.17
    1,3-propanediol 14.48
    bromobenzene 81.38
    dibromomethane 62.89
    1,1,2,2-tetrachloroethane 100.39
    2-methyl-cyclohexyl acetate 45.83
    tetrabutyl urea 27.95
    diisobutyl methanol 13.07
    2-phenylethanol 43.56
    styrene 30.33
    dioctyl adipate 32.34
    dimethyl sulfate 40.45
    ethyl butyrate 39.25
    methyl lactate 22.08
    butyl lactate 46.6
    diethyl carbonate 24.43
    propanediol butyl ether 32.74
    triethyl orthoformate 40.88
    p-tert-butyltoluene 17.44
    methyl 4-tert-butylbenzoate 69.3
    morpholine 74.31
    tert-butylamine 10.06
    n-dodecanol 6.37
    dimethoxymethane 49.42
    ethylene carbonate 46.38
    cyrene 56.79
    2-ethoxyethyl acetate 77.72
    2-ethylhexyl acetate 48.29
    1,2,4-trichlorobenzene 87.91
    4-methylpyridine 86.69
    dibutyl ether 18.3
    2,6-dimethyl-4-heptanol 13.07
    DEF 56.84
    dimethyl isosorbide 88.57
    tetrachloroethylene 66.4
    eugenol 58.73
    triacetin 58.73
    span 80 40.69
    1,4-butanediol 7.12
    1,1-dichloroethane 47.47
    2-methyl-1-pentanol 26.61
    methyl formate 12.45
    2-methyl-1-butanol 30.03
    n-decane 1.57
    butyronitrile 24.47
    3,7-dimethyl-1-octanol 16.03
    1-chlorooctane 10.72
    1-chlorotetradecane 2.67
    n-nonane 1.3
    undecane 0.86
    tert-butylcyclohexane 3.44
    cyclooctane 2.22
    cyclopentanol 32.41
    tetrahydropyran 79.02
    tert-amyl methyl ether 26.03
    2,5,8-trioxanonane 53.41
    1-hexene 14.41
    2-isopropoxyethanol 29.96
    2,2,2-trifluoroethanol 13.33
    methyl butyrate 40.69

    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