Lupeol Acetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1617-68-1

    Molecular formula
    C32H52O2

    SMILES
    CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 89.89%
    Amber 54.37%
    Dry 52.33%
    Cedar 50.01%
    Sweet 48.67%
    Sandalwood 44.62%
    Vetiver 40.29%
    Balsamic 38.21%
    Musk 36.37%
    Spicy 35.97%

     

    Flavor
    Woody 74.83%
    Sweet 67.56%
    Pine 47.32%
    Camphor 45.51%
    Dry 41.57%
    Balsam 40.49%
    Herbal 37.32%
    Wood 37.09%
    Fresh 30.97%
    Earthy 29.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.4

    pKa est.
    6.8 (neutral)

    Molecular weight
    468.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    492°C

    Flash point

    • 224.31 ˚C est.

  • Synonyms

    • Lupeol acetate
    • LUPENYL ACETATE
    • 3-Acetyllupeol
    • 1617-68-1
    • 3-O-Acetyllupeol
    • Lupeyl acetate
    • WJ3A89G0H6
    • Lup-20(29)-en-3-ol, acetate, (3beta)-
    • NSC-281806
    • [(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] acetate
    • ((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) acetate
    • RefChem:154326
    • 216-575-8
    • MFCD00017362
    • lupeol 3-acetate
    • Lup-20(29)-en-3.beta.-ol, acetate
    • [(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
    • Lup-20(29)-en-3-ol, acetate, (3.beta.)-
    • UNII-WJ3A89G0H6
    • lupenol acetate
    • dehydrolupeal acetate
    • EINECS 216-575-8
    • NSC 281806
    • CLERODOL ACETATE
    • LUPEOL ACETATE [MI]
    • SCHEMBL936136
    • CHEMBL453802
    • orb1684440
    • CHEBI:69744
    • ODSSDTBFHAYYMD-YOJQYFTNSA-N
    • AKOS040760532
    • EBC-618370
    • FL65634
    • LMPR0106130002
    • 3.BETA.-OAC-20(29)-LUPENE
    • (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 acetate
    • MS-28664
    • HY-126114
    • CS-0090571
    • NS00045939
    • LUP-20(29)-EN-3.BETA.-YL ACETATE
    • C08630
    • H63363
    • LUP-20(30)-EN-3.BETA.-OL, ACETATE
    • Q27104976
    • (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 acetate
    • Acetic acid (1R,3aR,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-eicosahydro-cyclopenta[a]chrysen-9-yl ester
    • 1617-68-1

  • Applications

    Lupeol Acetate, CAS 1617-68-1, is commonly used as an intermediate in the synthesis of lupeol-based triterpenoid derivatives in organic synthesis and pharmaceutical research; it is evaluated for use in cosmetics and personal care as a skin-conditioning active ingredient or functional additive; it serves as a starting material in industrial manufacturing for preparing lupeol esters and related derivatives; it is also explored in agricultural research as a bioactive lead for new formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.84
    methanol 7.07
    isopropanol 21.52
    water 0.07
    ethyl acetate 23.95
    n-propanol 28.26
    acetone 22.74
    n-butanol 31.07
    acetonitrile 12.75
    DMF 47.98
    toluene 49.14
    isobutanol 24.29
    1,4-dioxane 49.84
    methyl acetate 16.0
    THF 106.29
    2-butanone 29.02
    n-pentanol 21.34
    sec-butanol 15.91
    n-hexane 1.29
    ethylene glycol 1.85
    NMP 59.15
    cyclohexane 2.14
    DMSO 17.08
    n-butyl acetate 24.13
    n-octanol 12.1
    chloroform 95.33
    n-propyl acetate 18.53
    acetic acid 14.02
    dichloromethane 47.27
    cyclohexanone 52.53
    propylene glycol 4.93
    isopropyl acetate 27.3
    DMAc 55.64
    2-ethoxyethanol 27.0
    isopentanol 27.35
    n-heptane 1.17
    ethyl formate 9.68
    1,2-dichloroethane 27.84
    n-hexanol 23.72
    2-methoxyethanol 32.7
    isobutyl acetate 21.93
    tetrachloromethane 15.04
    n-pentyl acetate 33.48
    transcutol 68.4
    n-heptanol 19.85
    ethylbenzene 17.04
    MIBK 30.29
    2-propoxyethanol 65.88
    tert-butanol 17.5
    MTBE 17.99
    2-butoxyethanol 49.39
    propionic acid 14.54
    o-xylene 21.41
    formic acid 3.8
    diethyl ether 23.25
    m-xylene 33.14
    p-xylene 19.41
    chlorobenzene 42.44
    dimethyl carbonate 17.13
    n-octane 0.45
    formamide 6.06
    cyclopentanone 62.6
    2-pentanone 31.05
    anisole 37.22
    cyclopentyl methyl ether 42.61
    gamma-butyrolactone 52.0
    1-methoxy-2-propanol 49.32
    pyridine 61.66
    3-pentanone 26.42
    furfural 50.52
    n-dodecane 0.25
    diethylene glycol 26.04
    diisopropyl ether 9.22
    tert-amyl alcohol 12.7
    acetylacetone 37.55
    n-hexadecane 0.32
    acetophenone 34.22
    methyl propionate 25.4
    isopentyl acetate 33.05
    trichloroethylene 71.92
    n-nonanol 13.93
    cyclohexanol 20.85
    benzyl alcohol 31.45
    2-ethylhexanol 14.12
    isooctanol 17.57
    dipropyl ether 18.06
    1,2-dichlorobenzene 39.62
    ethyl lactate 14.61
    propylene carbonate 29.94
    n-methylformamide 15.13
    2-pentanol 18.09
    n-pentane 1.72
    1-propoxy-2-propanol 49.99
    1-methoxy-2-propyl acetate 51.02
    2-(2-methoxypropoxy) propanol 34.93
    mesitylene 16.45
    ε-caprolactone 47.49
    p-cymene 11.3
    epichlorohydrin 63.83
    1,1,1-trichloroethane 34.56
    2-aminoethanol 8.39
    morpholine-4-carbaldehyde 70.56
    sulfolane 53.67
    2,2,4-trimethylpentane 1.23
    2-methyltetrahydrofuran 42.61
    n-hexyl acetate 33.44
    isooctane 1.1
    2-(2-butoxyethoxy)ethanol 43.75
    sec-butyl acetate 17.5
    tert-butyl acetate 32.14
    decalin 1.81
    glycerin 8.29
    diglyme 73.54
    acrylic acid 12.8
    isopropyl myristate 12.54
    n-butyric acid 28.22
    acetyl acetate 20.44
    di(2-ethylhexyl) phthalate 19.71
    ethyl propionate 19.35
    nitromethane 21.88
    1,2-diethoxyethane 25.15
    benzonitrile 28.84
    trioctyl phosphate 12.91
    1-bromopropane 19.92
    gamma-valerolactone 101.81
    n-decanol 8.14
    triethyl phosphate 14.49
    4-methyl-2-pentanol 15.42
    propionitrile 20.38
    vinylene carbonate 33.19
    1,1,2-trichlorotrifluoroethane 42.92
    DMS 24.71
    cumene 11.23
    2-octanol 10.85
    2-hexanone 23.13
    octyl acetate 15.38
    limonene 11.85
    1,2-dimethoxyethane 42.94
    ethyl orthosilicate 16.35
    tributyl phosphate 12.22
    diacetone alcohol 34.05
    N,N-dimethylaniline 25.88
    acrylonitrile 20.45
    aniline 40.13
    1,3-propanediol 18.86
    bromobenzene 47.89
    dibromomethane 33.24
    1,1,2,2-tetrachloroethane 59.24
    2-methyl-cyclohexyl acetate 27.4
    tetrabutyl urea 17.59
    diisobutyl methanol 9.75
    2-phenylethanol 39.47
    styrene 19.08
    dioctyl adipate 20.91
    dimethyl sulfate 24.57
    ethyl butyrate 20.95
    methyl lactate 18.05
    butyl lactate 31.31
    diethyl carbonate 13.79
    propanediol butyl ether 31.57
    triethyl orthoformate 22.8
    p-tert-butyltoluene 11.23
    methyl 4-tert-butylbenzoate 47.03
    morpholine 62.21
    tert-butylamine 11.28
    n-dodecanol 4.7
    dimethoxymethane 51.35
    ethylene carbonate 26.69
    cyrene 41.52
    2-ethoxyethyl acetate 46.98
    2-ethylhexyl acetate 26.15
    1,2,4-trichlorobenzene 51.85
    4-methylpyridine 62.31
    dibutyl ether 9.57
    2,6-dimethyl-4-heptanol 9.75
    DEF 30.38
    dimethyl isosorbide 62.1
    tetrachloroethylene 38.59
    eugenol 47.0
    triacetin 37.27
    span 80 32.17
    1,4-butanediol 8.13
    1,1-dichloroethane 29.28
    2-methyl-1-pentanol 18.32
    methyl formate 9.35
    2-methyl-1-butanol 22.5
    n-decane 0.72
    butyronitrile 21.71
    3,7-dimethyl-1-octanol 12.47
    1-chlorooctane 5.63
    1-chlorotetradecane 1.38
    n-nonane 0.57
    undecane 0.4
    tert-butylcyclohexane 1.67
    cyclooctane 0.99
    cyclopentanol 21.56
    tetrahydropyran 48.34
    tert-amyl methyl ether 14.7
    2,5,8-trioxanonane 43.75
    1-hexene 6.45
    2-isopropoxyethanol 24.48
    2,2,2-trifluoroethanol 8.61
    methyl butyrate 21.3

    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