19-Hydroxy-5beta,8alpha,9beta,10alpha-kaur-15-en-7-one

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  • Identifiers

    CAS number
    89686-82-8

    Molecular formula
    C20H30O2

    SMILES
    CC1=C[C@]23C[C@@H]1CC[C@H]2[C@@]4(CCC[C@]([C@H]4CC3=O)(C)CO)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 74.45%
    Amber 42.12%
    Cedar 39.5%
    Dry 35.95%
    Spicy 35.49%
    Fresh 34.86%
    Herbal 34.84%
    Balsamic 34.18%
    Earthy 31.94%
    Sandalwood 31.13%

     

    Flavor
    Woody 36.4%
    Spicy 36.09%
    Bitter 35.34%
    Earthy 29.38%
    Balsam 29.17%
    Camphor 28.98%
    Fresh 28.93%
    Sweet 28.12%
    Pine 26.83%
    Herbal 25.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.73 (neutral)

    Molecular weight
    302.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    390°C

    Flash point

    • 196.47 ˚C est.

  • Synonyms

    • DTXSID601290040
    • Kaur-15-en-7-one, 18-hydroxy-, (4I(2))-
    • 19-Hydroxy-5beta,8alpha,9beta,10alpha-kaur-15-en-7-one
    • 89686-82-8
    • 89686-82-8

  • Applications

    19-Hydroxy-5beta,8alpha,9beta,10alpha-kaur-15-en-7-one (CAS 89686-82-8) serves primarily as an intermediate and chiral building block in the synthesis of kaurane-type diterpenoids, supporting medicinal chemistry programs and agrochemical research by enabling semi-synthetic access to complex natural-product derivatives. It is used in academic and industrial settings as a substrate for selective oxidation, ring transformations, and functional-group elaboration to generate libraries of bioactive-looking scaffolds. The compound is also evaluated as a precursor for creating fragrance-related derivatives and specialty cosmetic ingredients, and may be handled as a general chemical intermediate in the production of diterpene-based materials under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.88
    methanol 29.79
    isopropanol 29.77
    water 0.33
    ethyl acetate 29.99
    n-propanol 30.97
    acetone 44.59
    n-butanol 38.17
    acetonitrile 19.31
    DMF 99.89
    toluene 93.62
    isobutanol 23.21
    1,4-dioxane 86.63
    methyl acetate 22.95
    THF 150.83
    2-butanone 35.21
    n-pentanol 12.18
    sec-butanol 8.13
    n-hexane 0.42
    ethylene glycol 6.36
    NMP 46.14
    cyclohexane 2.27
    DMSO 30.47
    n-butyl acetate 29.67
    n-octanol 9.61
    chloroform 119.69
    n-propyl acetate 20.36
    acetic acid 23.41
    dichloromethane 63.37
    cyclohexanone 71.71
    propylene glycol 6.66
    isopropyl acetate 36.88
    DMAc 55.95
    2-ethoxyethanol 28.9
    isopentanol 32.47
    n-heptane 0.69
    ethyl formate 18.45
    1,2-dichloroethane 39.87
    n-hexanol 25.21
    2-methoxyethanol 69.7
    isobutyl acetate 23.29
    tetrachloromethane 15.07
    n-pentyl acetate 28.6
    transcutol 96.11
    n-heptanol 18.87
    ethylbenzene 20.08
    MIBK 40.04
    2-propoxyethanol 83.11
    tert-butanol 27.03
    MTBE 12.18
    2-butoxyethanol 50.63
    propionic acid 15.5
    o-xylene 33.2
    formic acid 11.64
    diethyl ether 19.7
    m-xylene 54.78
    p-xylene 24.1
    chlorobenzene 54.89
    dimethyl carbonate 28.62
    n-octane 0.4
    formamide 21.3
    cyclopentanone 87.97
    2-pentanone 41.43
    anisole 42.12
    cyclopentyl methyl ether 46.02
    gamma-butyrolactone 72.49
    1-methoxy-2-propanol 72.9
    pyridine 96.67
    3-pentanone 29.21
    furfural 77.4
    n-dodecane 0.4
    diethylene glycol 57.18
    diisopropyl ether 8.43
    tert-amyl alcohol 8.14
    acetylacetone 64.1
    n-hexadecane 0.51
    acetophenone 42.75
    methyl propionate 29.19
    isopentyl acetate 36.76
    trichloroethylene 94.92
    n-nonanol 11.45
    cyclohexanol 23.32
    benzyl alcohol 40.21
    2-ethylhexanol 13.91
    isooctanol 16.27
    dipropyl ether 12.67
    1,2-dichlorobenzene 47.36
    ethyl lactate 17.98
    propylene carbonate 39.74
    n-methylformamide 34.88
    2-pentanol 14.18
    n-pentane 0.82
    1-propoxy-2-propanol 52.08
    1-methoxy-2-propyl acetate 60.64
    2-(2-methoxypropoxy) propanol 37.58
    mesitylene 26.05
    ε-caprolactone 50.17
    p-cymene 14.09
    epichlorohydrin 83.96
    1,1,1-trichloroethane 39.46
    2-aminoethanol 15.65
    morpholine-4-carbaldehyde 84.44
    sulfolane 61.67
    2,2,4-trimethylpentane 0.66
    2-methyltetrahydrofuran 33.16
    n-hexyl acetate 27.79
    isooctane 1.05
    2-(2-butoxyethoxy)ethanol 48.52
    sec-butyl acetate 18.42
    tert-butyl acetate 39.8
    decalin 1.63
    glycerin 18.52
    diglyme 89.36
    acrylic acid 17.48
    isopropyl myristate 12.99
    n-butyric acid 37.96
    acetyl acetate 36.35
    di(2-ethylhexyl) phthalate 20.81
    ethyl propionate 20.59
    nitromethane 40.08
    1,2-diethoxyethane 28.61
    benzonitrile 50.13
    trioctyl phosphate 14.0
    1-bromopropane 17.74
    gamma-valerolactone 126.69
    n-decanol 7.84
    triethyl phosphate 16.23
    4-methyl-2-pentanol 16.21
    propionitrile 30.87
    vinylene carbonate 50.66
    1,1,2-trichlorotrifluoroethane 53.9
    DMS 32.95
    cumene 13.35
    2-octanol 8.29
    2-hexanone 19.06
    octyl acetate 15.05
    limonene 12.48
    1,2-dimethoxyethane 52.34
    ethyl orthosilicate 16.77
    tributyl phosphate 13.2
    diacetone alcohol 44.9
    N,N-dimethylaniline 28.26
    acrylonitrile 43.74
    aniline 68.28
    1,3-propanediol 38.9
    bromobenzene 56.09
    dibromomethane 40.36
    1,1,2,2-tetrachloroethane 68.18
    2-methyl-cyclohexyl acetate 27.33
    tetrabutyl urea 18.38
    diisobutyl methanol 11.5
    2-phenylethanol 53.52
    styrene 23.25
    dioctyl adipate 20.13
    dimethyl sulfate 34.67
    ethyl butyrate 22.87
    methyl lactate 26.28
    butyl lactate 29.76
    diethyl carbonate 17.45
    propanediol butyl ether 30.74
    triethyl orthoformate 22.9
    p-tert-butyltoluene 13.79
    methyl 4-tert-butylbenzoate 45.77
    morpholine 80.1
    tert-butylamine 13.4
    n-dodecanol 5.33
    dimethoxymethane 89.97
    ethylene carbonate 40.31
    cyrene 45.29
    2-ethoxyethyl acetate 47.42
    2-ethylhexyl acetate 26.12
    1,2,4-trichlorobenzene 55.43
    4-methylpyridine 93.13
    dibutyl ether 7.58
    2,6-dimethyl-4-heptanol 11.5
    DEF 31.1
    dimethyl isosorbide 70.61
    tetrachloroethylene 46.87
    eugenol 49.89
    triacetin 36.06
    span 80 30.45
    1,4-butanediol 9.56
    1,1-dichloroethane 36.69
    2-methyl-1-pentanol 11.98
    methyl formate 24.72
    2-methyl-1-butanol 17.39
    n-decane 0.78
    butyronitrile 30.19
    3,7-dimethyl-1-octanol 12.07
    1-chlorooctane 4.72
    1-chlorotetradecane 1.81
    n-nonane 0.56
    undecane 0.54
    tert-butylcyclohexane 1.41
    cyclooctane 0.96
    cyclopentanol 20.07
    tetrahydropyran 53.6
    tert-amyl methyl ether 8.12
    2,5,8-trioxanonane 58.31
    1-hexene 2.55
    2-isopropoxyethanol 23.65
    2,2,2-trifluoroethanol 15.87
    methyl butyrate 23.63

    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