Dihydrolupeol

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  • Identifiers

    CAS number
    3186-86-5

    Molecular formula
    C30H52O

    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)O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 88.71%
    Amber 53.86%
    Dry 53.21%
    Sandalwood 46.0%
    Cedar 44.6%
    Spicy 41.38%
    Balsamic 40.25%
    Vetiver 38.65%
    Sweet 38.47%
    Musk 34.66%

     

    Flavor
    Woody 67.9%
    Sweet 58.02%
    Pine 48.47%
    Camphor 46.92%
    Dry 41.52%
    Earthy 41.18%
    Balsam 38.08%
    Wood 33.68%
    Herbal 32.38%
    Earth 32.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.9

    pKa est.
    6.68 (neutral)

    Molecular weight
    428.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    473°C

    Flash point

    • 218.67 ˚C est.

  • Synonyms

    • dihydrolupeol
    • Lupan-3beta-ol
    • (3I(2))-Lupan-3-ol
    • SCHEMBL476920
    • DTXSID801317117
    • 3186-86-5
    • 3186-86-5

  • Applications

    Dihydrolupeol, a saturated lupane-type triterpenoid, is primarily used as an intermediate in the synthesis of other triterpenoid derivatives and in product-development research. Real-world applications are typically concentrated in chemical manufacturing and cosmetics, including use as a precursor for cosmetic and fragrance compounds, and it is evaluated as a component in polymer and plastic systems in research settings. In addition, it may be considered as a starting material or scaffold for pharmaceutical research and as a potential additive in coatings/inks during development, with use subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.05
    methanol 2.53
    isopropanol 7.49
    water 0.06
    ethyl acetate 14.52
    n-propanol 11.06
    acetone 14.63
    n-butanol 14.54
    acetonitrile 4.59
    DMF 20.61
    toluene 28.94
    isobutanol 9.6
    1,4-dioxane 35.9
    methyl acetate 8.91
    THF 77.75
    2-butanone 16.44
    n-pentanol 9.88
    sec-butanol 5.99
    n-hexane 1.5
    ethylene glycol 0.7
    NMP 31.03
    cyclohexane 1.86
    DMSO 8.51
    n-butyl acetate 20.0
    n-octanol 10.67
    chloroform 34.98
    n-propyl acetate 12.27
    acetic acid 5.57
    dichloromethane 19.78
    cyclohexanone 31.78
    propylene glycol 1.57
    isopropyl acetate 19.71
    DMAc 28.39
    2-ethoxyethanol 14.26
    isopentanol 14.16
    n-heptane 2.02
    ethyl formate 4.55
    1,2-dichloroethane 13.44
    n-hexanol 13.82
    2-methoxyethanol 14.91
    isobutyl acetate 15.97
    tetrachloromethane 9.07
    n-pentyl acetate 27.54
    transcutol 54.77
    n-heptanol 16.83
    ethylbenzene 12.97
    MIBK 21.76
    2-propoxyethanol 38.44
    tert-butanol 8.65
    MTBE 14.26
    2-butoxyethanol 36.64
    propionic acid 6.12
    o-xylene 15.49
    formic acid 1.3
    diethyl ether 17.56
    m-xylene 23.28
    p-xylene 14.65
    chlorobenzene 22.14
    dimethyl carbonate 9.52
    n-octane 0.74
    formamide 2.25
    cyclopentanone 39.46
    2-pentanone 20.52
    anisole 27.03
    cyclopentyl methyl ether 32.0
    gamma-butyrolactone 30.02
    1-methoxy-2-propanol 22.44
    pyridine 34.77
    3-pentanone 16.28
    furfural 24.76
    n-dodecane 0.34
    diethylene glycol 12.46
    diisopropyl ether 9.61
    tert-amyl alcohol 6.57
    acetylacetone 26.41
    n-hexadecane 0.44
    acetophenone 22.12
    methyl propionate 14.89
    isopentyl acetate 27.31
    trichloroethylene 32.14
    n-nonanol 12.81
    cyclohexanol 10.74
    benzyl alcohol 15.68
    2-ethylhexanol 12.0
    isooctanol 16.14
    dipropyl ether 20.5
    1,2-dichlorobenzene 21.09
    ethyl lactate 7.74
    propylene carbonate 16.34
    n-methylformamide 5.54
    2-pentanol 9.43
    n-pentane 1.73
    1-propoxy-2-propanol 33.82
    1-methoxy-2-propyl acetate 39.59
    2-(2-methoxypropoxy) propanol 27.38
    mesitylene 14.26
    ε-caprolactone 28.41
    p-cymene 12.67
    epichlorohydrin 32.92
    1,1,1-trichloroethane 18.65
    2-aminoethanol 2.89
    morpholine-4-carbaldehyde 40.38
    sulfolane 28.8
    2,2,4-trimethylpentane 1.38
    2-methyltetrahydrofuran 28.82
    n-hexyl acetate 27.03
    isooctane 1.71
    2-(2-butoxyethoxy)ethanol 36.8
    sec-butyl acetate 12.9
    tert-butyl acetate 26.87
    decalin 1.96
    glycerin 3.15
    diglyme 63.72
    acrylic acid 5.01
    isopropyl myristate 11.09
    n-butyric acid 13.35
    acetyl acetate 13.13
    di(2-ethylhexyl) phthalate 14.86
    ethyl propionate 12.99
    nitromethane 9.32
    1,2-diethoxyethane 24.11
    benzonitrile 14.75
    trioctyl phosphate 10.25
    1-bromopropane 10.59
    gamma-valerolactone 58.18
    n-decanol 7.56
    triethyl phosphate 11.83
    4-methyl-2-pentanol 9.91
    propionitrile 8.38
    vinylene carbonate 15.9
    1,1,2-trichlorotrifluoroethane 18.31
    DMS 17.92
    cumene 10.17
    2-octanol 9.54
    2-hexanone 15.05
    octyl acetate 12.86
    limonene 12.52
    1,2-dimethoxyethane 28.17
    ethyl orthosilicate 14.25
    tributyl phosphate 9.07
    diacetone alcohol 22.52
    N,N-dimethylaniline 22.29
    acrylonitrile 7.78
    aniline 20.23
    1,3-propanediol 7.21
    bromobenzene 26.84
    dibromomethane 14.85
    1,1,2,2-tetrachloroethane 25.3
    2-methyl-cyclohexyl acetate 21.54
    tetrabutyl urea 13.14
    diisobutyl methanol 10.8
    2-phenylethanol 24.76
    styrene 13.72
    dioctyl adipate 16.37
    dimethyl sulfate 13.5
    ethyl butyrate 17.71
    methyl lactate 8.05
    butyl lactate 21.45
    diethyl carbonate 10.91
    propanediol butyl ether 20.99
    triethyl orthoformate 20.51
    p-tert-butyltoluene 13.99
    methyl 4-tert-butylbenzoate 38.56
    morpholine 36.25
    tert-butylamine 6.72
    n-dodecanol 4.48
    dimethoxymethane 30.35
    ethylene carbonate 13.9
    cyrene 26.3
    2-ethoxyethyl acetate 36.61
    2-ethylhexyl acetate 23.21
    1,2,4-trichlorobenzene 27.17
    4-methylpyridine 32.17
    dibutyl ether 10.31
    2,6-dimethyl-4-heptanol 10.8
    DEF 19.02
    dimethyl isosorbide 51.57
    tetrachloroethylene 18.51
    eugenol 35.43
    triacetin 27.69
    span 80 23.81
    1,4-butanediol 3.04
    1,1-dichloroethane 13.92
    2-methyl-1-pentanol 10.24
    methyl formate 4.04
    2-methyl-1-butanol 11.38
    n-decane 1.03
    butyronitrile 10.17
    3,7-dimethyl-1-octanol 10.9
    1-chlorooctane 5.72
    1-chlorotetradecane 1.45
    n-nonane 0.86
    undecane 0.55
    tert-butylcyclohexane 2.18
    cyclooctane 1.2
    cyclopentanol 9.99
    tetrahydropyran 31.17
    tert-amyl methyl ether 11.47
    2,5,8-trioxanonane 37.31
    1-hexene 5.08
    2-isopropoxyethanol 14.22
    2,2,2-trifluoroethanol 3.38
    methyl butyrate 13.6

    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