7beta,12alpha-Dihydroxykaurenolide

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  • Identifiers

    CAS number
    62107-03-3

    Molecular formula
    C20H28O4

    SMILES
    C[C@@]12CCC[C@@]3([C@H]1[C@H]([C@@H]([C@]45[C@H]2C[C@@H]([C@H](C4)C(=C)C5)O)O)OC3=O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 55.45%
    Spicy 44.3%
    Odorless 36.07%
    Herbal 27.68%
    Camphoreous 27.44%
    Sweet 26.53%
    Mint 25.27%
    Balsamic 25.0%
    Earthy 24.65%
    Cooling 24.11%

     

    Flavor
    Bitter 86.92%
    Cedarleaf 23.44%
    Sweet-like 21.05%
    Ripe apricot 20.55%
    Lovage 20.22%
    Patchouli 20.14%
    Red fruit 20.09%
    Fatty 20.07%
    Beet 20.0%
    Soil 20.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.42 (neutral)

    Molecular weight
    332.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    361°C

    Flash point

    • 218.12 ˚C est.

  • Synonyms

    • 7beta,12alpha-Dihydroxykaurenolide
    • 62107-03-3
    • (1S,2S,4S,5R,8R,9R,10R,13R,17S)-4,9-dihydroxy-1,13-dimethyl-6-methylidene-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecan-12-one
    • C09081
    • CHEBI:2296
    • DTXSID00331720
    • Q27105613
    • 7beta,12alpha-Dihydroxy-5beta,6alpha,8alpha,9beta,10alpha,13alpha-6,18-epoxykaur-16-en-18-one
    • 62107-03-3

  • Applications

    7beta,12alpha-Dihydroxykaurenolide (CAS 62107-03-3) is primarily used as a synthetic intermediate in diterpene chemistry, serving as a chiral building block for the preparation of kaurenolide-type derivatives; it is also evaluated for fragrance applications as a potential odorant or fixative in perfumery; in cosmetics/personal care, it may be explored as a specialty intermediate or fragrance component in limited formulations; in pharmaceutical research, it can function as a scaffold for SAR studies and as a precursor to more bioactive diterpenoid structures; and in academic or industrial chemical research it is used as a model substrate for common oxidation, reduction, or derivatization strategies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.8
    methanol 84.83
    isopropanol 46.25
    water 0.75
    ethyl acetate 16.48
    n-propanol 23.62
    acetone 57.42
    n-butanol 39.1
    acetonitrile 16.59
    DMF 194.98
    toluene 14.8
    isobutanol 20.21
    1,4-dioxane 61.16
    methyl acetate 15.71
    THF 206.64
    2-butanone 26.3
    n-pentanol 11.17
    sec-butanol 7.43
    n-hexane 0.11
    ethylene glycol 16.89
    NMP 60.34
    cyclohexane 0.38
    DMSO 107.99
    n-butyl acetate 17.23
    n-octanol 7.44
    chloroform 46.49
    n-propyl acetate 10.75
    acetic acid 31.81
    dichloromethane 25.21
    cyclohexanone 64.43
    propylene glycol 11.74
    isopropyl acetate 23.98
    DMAc 64.8
    2-ethoxyethanol 33.5
    isopentanol 37.8
    n-heptane 0.21
    ethyl formate 19.04
    1,2-dichloroethane 17.66
    n-hexanol 18.93
    2-methoxyethanol 116.49
    isobutyl acetate 12.06
    tetrachloromethane 6.26
    n-pentyl acetate 19.66
    transcutol 52.83
    n-heptanol 14.19
    ethylbenzene 4.49
    MIBK 35.99
    2-propoxyethanol 81.04
    tert-butanol 37.53
    MTBE 5.26
    2-butoxyethanol 44.53
    propionic acid 13.75
    o-xylene 7.42
    formic acid 39.46
    diethyl ether 7.82
    m-xylene 14.53
    p-xylene 6.49
    chlorobenzene 18.19
    dimethyl carbonate 28.07
    n-octane 0.17
    formamide 50.46
    cyclopentanone 119.17
    2-pentanone 38.95
    anisole 13.32
    cyclopentyl methyl ether 29.07
    gamma-butyrolactone 91.02
    1-methoxy-2-propanol 117.69
    pyridine 42.06
    3-pentanone 16.9
    furfural 83.32
    n-dodecane 0.19
    diethylene glycol 85.45
    diisopropyl ether 3.3
    tert-amyl alcohol 7.03
    acetylacetone 62.28
    n-hexadecane 0.24
    acetophenone 20.75
    methyl propionate 19.3
    isopentyl acetate 20.98
    trichloroethylene 44.7
    n-nonanol 8.71
    cyclohexanol 17.01
    benzyl alcohol 23.46
    2-ethylhexanol 8.1
    isooctanol 12.07
    dipropyl ether 5.27
    1,2-dichlorobenzene 17.58
    ethyl lactate 17.3
    propylene carbonate 38.62
    n-methylformamide 72.07
    2-pentanol 13.45
    n-pentane 0.22
    1-propoxy-2-propanol 45.6
    1-methoxy-2-propyl acetate 40.62
    2-(2-methoxypropoxy) propanol 26.99
    mesitylene 7.71
    ε-caprolactone 36.08
    p-cymene 5.32
    epichlorohydrin 93.02
    1,1,1-trichloroethane 16.36
    2-aminoethanol 23.04
    morpholine-4-carbaldehyde 94.86
    sulfolane 97.41
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 26.68
    n-hexyl acetate 19.57
    isooctane 0.32
    2-(2-butoxyethoxy)ethanol 37.77
    sec-butyl acetate 8.97
    tert-butyl acetate 25.86
    decalin 0.36
    glycerin 46.14
    diglyme 69.41
    acrylic acid 19.69
    isopropyl myristate 8.12
    n-butyric acid 41.15
    acetyl acetate 23.89
    di(2-ethylhexyl) phthalate 14.22
    ethyl propionate 10.79
    nitromethane 64.01
    1,2-diethoxyethane 14.54
    benzonitrile 30.66
    trioctyl phosphate 11.24
    1-bromopropane 5.44
    gamma-valerolactone 150.45
    n-decanol 5.56
    triethyl phosphate 9.4
    4-methyl-2-pentanol 15.28
    propionitrile 19.66
    vinylene carbonate 44.69
    1,1,2-trichlorotrifluoroethane 61.87
    DMS 18.96
    cumene 3.97
    2-octanol 6.98
    2-hexanone 14.12
    octyl acetate 10.68
    limonene 4.68
    1,2-dimethoxyethane 57.35
    ethyl orthosilicate 8.73
    tributyl phosphate 10.39
    diacetone alcohol 47.73
    N,N-dimethylaniline 11.05
    acrylonitrile 34.85
    aniline 23.29
    1,3-propanediol 70.94
    bromobenzene 15.19
    dibromomethane 12.43
    1,1,2,2-tetrachloroethane 36.75
    2-methyl-cyclohexyl acetate 15.14
    tetrabutyl urea 15.15
    diisobutyl methanol 7.04
    2-phenylethanol 33.11
    styrene 4.72
    dioctyl adipate 12.79
    dimethyl sulfate 42.4
    ethyl butyrate 11.99
    methyl lactate 35.06
    butyl lactate 24.13
    diethyl carbonate 9.08
    propanediol butyl ether 31.06
    triethyl orthoformate 12.05
    p-tert-butyltoluene 5.22
    methyl 4-tert-butylbenzoate 29.82
    morpholine 58.71
    tert-butylamine 8.94
    n-dodecanol 3.55
    dimethoxymethane 139.82
    ethylene carbonate 35.82
    cyrene 42.01
    2-ethoxyethyl acetate 29.36
    2-ethylhexyl acetate 13.55
    1,2,4-trichlorobenzene 21.12
    4-methylpyridine 41.43
    dibutyl ether 4.05
    2,6-dimethyl-4-heptanol 7.04
    DEF 25.8
    dimethyl isosorbide 52.71
    tetrachloroethylene 25.23
    eugenol 35.68
    triacetin 22.36
    span 80 24.4
    1,4-butanediol 17.9
    1,1-dichloroethane 16.94
    2-methyl-1-pentanol 9.29
    methyl formate 63.56
    2-methyl-1-butanol 14.69
    n-decane 0.35
    butyronitrile 23.28
    3,7-dimethyl-1-octanol 8.03
    1-chlorooctane 2.25
    1-chlorotetradecane 0.93
    n-nonane 0.24
    undecane 0.25
    tert-butylcyclohexane 0.32
    cyclooctane 0.21
    cyclopentanol 25.54
    tetrahydropyran 28.66
    tert-amyl methyl ether 3.44
    2,5,8-trioxanonane 44.51
    1-hexene 0.72
    2-isopropoxyethanol 22.25
    2,2,2-trifluoroethanol 25.94
    methyl butyrate 14.96

    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