30-Hydroxylupa-1,12,20(29)-trien-3-one

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  • Identifiers

    CAS number
    152369-65-8

    Molecular formula
    C30H44O2

    SMILES
    C[C@]12CC[C@H]([C@@H]1C3=CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(C=CC(=O)C5(C)C)C)C)C(=C)CO

    Safety labels

  • Odor profile

    Fragrance
    Woody 87.35%
    Amber 55.43%
    Cedar 51.44%
    Sandalwood 45.73%
    Dry 44.91%
    Musk 40.98%
    Vetiver 37.5%
    Powdery 32.7%
    Orris 31.34%
    Tobacco 30.69%

     

    Flavor
    Woody 55.87%
    Camphor 36.03%
    Balsam 35.42%
    Sweet 33.41%
    Pine 32.71%
    Bitter 32.06%
    Herbal 29.78%
    Spicy 29.11%
    Wood 26.02%
    Fir needle 24.73%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.6

    pKa est.
    6.51 (neutral)

    Molecular weight
    436.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    433°C

    Flash point

    • 238.18 ˚C est.

  • Synonyms

    • DTXSID201270084
    • 30-Hydroxylupa-1,12,20(29)-trien-3-one
    • Lupa-1,12,20(29)-trien-3-one, 30-hydroxy-
    • 152369-65-8
    • 152369-65-8

  • Applications

    30-Hydroxylupa-1,12,20(29)-trien-3-one (CAS 152369-65-8) is used primarily as a synthetic intermediate for lupane-type triterpenoid compounds, supporting research and development in pharmaceuticals and cosmetics; it is commonly employed as a starting material to prepare derivatives to tune chemical properties and activity of the lupane framework. In cosmetics and personal care, it can serve as a precursor for derivative creation and purified components. In industrial chemistry and materials, this compound may be explored as a building block for synthesizing specialty compounds used in coatings, inks, and polymers. Additionally, it is often considered a research reagent in natural product synthesis based on the lupane skeleton, with potential applications in materials science and specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.43
    methanol 3.95
    isopropanol 7.94
    water 0.01
    ethyl acetate 6.02
    n-propanol 11.01
    acetone 6.39
    n-butanol 11.91
    acetonitrile 2.9
    DMF 25.85
    toluene 13.18
    isobutanol 8.58
    1,4-dioxane 16.55
    methyl acetate 4.34
    THF 29.85
    2-butanone 8.61
    n-pentanol 7.62
    sec-butanol 4.89
    n-hexane 0.33
    ethylene glycol 0.78
    NMP 20.61
    cyclohexane 0.37
    DMSO 5.89
    n-butyl acetate 6.58
    n-octanol 3.97
    chloroform 23.65
    n-propyl acetate 4.91
    acetic acid 4.31
    dichloromethane 10.51
    cyclohexanone 14.6
    propylene glycol 1.91
    isopropyl acetate 7.58
    DMAc 21.86
    2-ethoxyethanol 10.85
    isopentanol 9.4
    n-heptane 0.32
    ethyl formate 2.38
    1,2-dichloroethane 6.45
    n-hexanol 8.72
    2-methoxyethanol 15.02
    isobutyl acetate 5.82
    tetrachloromethane 3.54
    n-pentyl acetate 10.28
    transcutol 28.75
    n-heptanol 7.85
    ethylbenzene 5.09
    MIBK 8.95
    2-propoxyethanol 31.45
    tert-butanol 6.46
    MTBE 4.88
    2-butoxyethanol 22.54
    propionic acid 4.01
    o-xylene 6.01
    formic acid 1.43
    diethyl ether 6.37
    m-xylene 9.02
    p-xylene 5.24
    chlorobenzene 9.87
    dimethyl carbonate 6.22
    n-octane 0.13
    formamide 2.35
    cyclopentanone 17.68
    2-pentanone 9.56
    anisole 13.53
    cyclopentyl methyl ether 11.37
    gamma-butyrolactone 13.1
    1-methoxy-2-propanol 22.18
    pyridine 20.15
    3-pentanone 7.59
    furfural 14.29
    n-dodecane 0.06
    diethylene glycol 11.79
    diisopropyl ether 2.25
    tert-amyl alcohol 3.99
    acetylacetone 11.47
    n-hexadecane 0.08
    acetophenone 10.87
    methyl propionate 7.91
    isopentyl acetate 8.96
    trichloroethylene 19.25
    n-nonanol 4.84
    cyclohexanol 5.73
    benzyl alcohol 10.94
    2-ethylhexanol 4.62
    isooctanol 6.67
    dipropyl ether 5.51
    1,2-dichlorobenzene 8.92
    ethyl lactate 4.76
    propylene carbonate 7.14
    n-methylformamide 5.92
    2-pentanol 5.98
    n-pentane 0.41
    1-propoxy-2-propanol 21.89
    1-methoxy-2-propyl acetate 17.65
    2-(2-methoxypropoxy) propanol 14.03
    mesitylene 4.42
    ε-caprolactone 12.18
    p-cymene 3.3
    epichlorohydrin 17.34
    1,1,1-trichloroethane 7.91
    2-aminoethanol 3.39
    morpholine-4-carbaldehyde 28.49
    sulfolane 15.77
    2,2,4-trimethylpentane 0.3
    2-methyltetrahydrofuran 9.45
    n-hexyl acetate 9.78
    isooctane 0.31
    2-(2-butoxyethoxy)ethanol 18.47
    sec-butyl acetate 4.76
    tert-butyl acetate 9.58
    decalin 0.39
    glycerin 3.84
    diglyme 30.3
    acrylic acid 3.75
    isopropyl myristate 3.39
    n-butyric acid 9.01
    acetyl acetate 5.37
    di(2-ethylhexyl) phthalate 6.81
    ethyl propionate 5.55
    nitromethane 6.48
    1,2-diethoxyethane 8.26
    benzonitrile 8.12
    trioctyl phosphate 4.08
    1-bromopropane 4.28
    gamma-valerolactone 30.18
    n-decanol 2.62
    triethyl phosphate 4.58
    4-methyl-2-pentanol 5.16
    propionitrile 5.64
    vinylene carbonate 8.47
    1,1,2-trichlorotrifluoroethane 14.42
    DMS 8.12
    cumene 3.28
    2-octanol 3.72
    2-hexanone 6.74
    octyl acetate 4.43
    limonene 3.24
    1,2-dimethoxyethane 15.97
    ethyl orthosilicate 5.44
    tributyl phosphate 3.41
    diacetone alcohol 13.23
    N,N-dimethylaniline 10.15
    acrylonitrile 6.16
    aniline 12.42
    1,3-propanediol 7.87
    bromobenzene 10.55
    dibromomethane 7.42
    1,1,2,2-tetrachloroethane 15.31
    2-methyl-cyclohexyl acetate 8.2
    tetrabutyl urea 5.59
    diisobutyl methanol 3.4
    2-phenylethanol 14.58
    styrene 5.68
    dioctyl adipate 6.38
    dimethyl sulfate 8.76
    ethyl butyrate 5.85
    methyl lactate 6.9
    butyl lactate 11.24
    diethyl carbonate 3.96
    propanediol butyl ether 13.81
    triethyl orthoformate 7.22
    p-tert-butyltoluene 3.6
    methyl 4-tert-butylbenzoate 17.79
    morpholine 22.02
    tert-butylamine 3.58
    n-dodecanol 1.36
    dimethoxymethane 24.03
    ethylene carbonate 6.58
    cyrene 15.96
    2-ethoxyethyl acetate 14.81
    2-ethylhexyl acetate 6.89
    1,2,4-trichlorobenzene 12.83
    4-methylpyridine 18.21
    dibutyl ether 2.43
    2,6-dimethyl-4-heptanol 3.4
    DEF 10.15
    dimethyl isosorbide 24.19
    tetrachloroethylene 10.17
    eugenol 19.51
    triacetin 11.15
    span 80 12.03
    1,4-butanediol 2.92
    1,1-dichloroethane 6.64
    2-methyl-1-pentanol 6.0
    methyl formate 3.4
    2-methyl-1-butanol 7.43
    n-decane 0.18
    butyronitrile 5.97
    3,7-dimethyl-1-octanol 3.9
    1-chlorooctane 1.29
    1-chlorotetradecane 0.3
    n-nonane 0.15
    undecane 0.1
    tert-butylcyclohexane 0.42
    cyclooctane 0.22
    cyclopentanol 5.75
    tetrahydropyran 12.16
    tert-amyl methyl ether 3.88
    2,5,8-trioxanonane 18.35
    1-hexene 1.58
    2-isopropoxyethanol 9.06
    2,2,2-trifluoroethanol 2.27
    methyl butyrate 5.97

    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