Kaurane-7,18-diol, 15,16-epoxy-, (4beta,7alpha,15alpha)-

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  • Identifiers

    CAS number
    87376-64-5

    Molecular formula
    C20H32O3

    SMILES
    C[C@@]1(CCC[C@@]2([C@@H]1C[C@H]([C@]34[C@H]2CC[C@H](C3)[C@]5([C@@H]4O5)C)O)C)CO

    Safety labels

  • Odor profile

    Fragrance
    Woody 70.65%
    Herbal 45.3%
    Balsamic 43.25%
    Sweet 41.87%
    Earthy 41.84%
    Camphoreous 40.55%
    Amber 39.44%
    Spicy 37.68%
    Mint 37.2%
    Sandalwood 35.35%

     

    Flavor
    Earthy 44.87%
    Bitter 38.77%
    Sweet 37.93%
    Woody 36.21%
    Spicy 31.96%
    Pine 31.51%
    Herbal 31.49%
    Earth 31.06%
    Camphor 29.47%
    Balsam 27.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.2 (neutral)

    Molecular weight
    320.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    258°C

    Flash point

    • 185.48 ˚C est.

  • Synonyms

    • 87376-64-5
    • (1R,2R,4S,5S,9R,10S,13R,14S,16R)-5-(hydroxymethyl)-5,9,14-trimethyl-15-oxapentacyclo(11.3.1.01,10.04,9.014,16)heptadecan-2-ol
    • (1R,2R,4S,5S,9R,10S,13R,14S,16R)-5-(hydroxymethyl)-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-2-ol
    • RefChem:151024
    • Kaurane-7,18-diol, 15,16-epoxy-, (4beta,7alpha,15alpha)-
    • DTXSID801251876
    • Kaurane-7,18-diol, 15,16-epoxy-, (4I(2),7I+/-,15I+/-)-
    • 5beta,8alpha,9beta,10alpha,13alpha,15alpha,16beta-15,16-Epoxykaurane-7alpha,19-diol
    • 87376-64-5

  • Applications

    Kaurane-7,18-diol, 15,16-epoxy-, (4beta,7alpha,15alpha)- (CAS 87376-64-5) is primarily used as a chiral intermediate and synthetic building block in the development of kaurane-type diterpenoids. In pharmaceutical research it is commonly analyzed as a scaffold for the synthesis and optimization of natural-product-derived leads. It is also explored in cosmetics and fragrance contexts as a fragrance-related precursor due to its terpenoid origin, subject to formulation constraints. In agricultural chemistry, the scaffold is investigated for bioactivity that could translate into plant-derived crop protection leads. In industrial manufacturing, it can serve as a chiral building block for the preparation of fine chemicals and specialty intermediates used in coatings, inks, or other polymer-related applications, within applicable safety and regulatory guidelines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.87
    methanol 30.04
    isopropanol 14.91
    water 0.97
    ethyl acetate 18.01
    n-propanol 14.06
    acetone 32.67
    n-butanol 15.48
    acetonitrile 23.85
    DMF 47.51
    toluene 12.86
    isobutanol 10.12
    1,4-dioxane 38.78
    methyl acetate 15.14
    THF 109.56
    2-butanone 18.7
    n-pentanol 7.88
    sec-butanol 3.74
    n-hexane 0.25
    ethylene glycol 9.94
    NMP 29.48
    cyclohexane 0.78
    DMSO 44.46
    n-butyl acetate 17.09
    n-octanol 7.11
    chloroform 37.38
    n-propyl acetate 12.41
    acetic acid 23.6
    dichloromethane 25.39
    cyclohexanone 34.07
    propylene glycol 5.91
    isopropyl acetate 20.88
    DMAc 32.77
    2-ethoxyethanol 24.71
    isopentanol 15.26
    n-heptane 0.52
    ethyl formate 13.68
    1,2-dichloroethane 16.68
    n-hexanol 14.91
    2-methoxyethanol 48.83
    isobutyl acetate 14.79
    tetrachloromethane 7.39
    n-pentyl acetate 18.09
    transcutol 49.82
    n-heptanol 12.63
    ethylbenzene 5.02
    MIBK 24.08
    2-propoxyethanol 51.74
    tert-butanol 14.36
    MTBE 7.59
    2-butoxyethanol 35.96
    propionic acid 10.98
    o-xylene 7.24
    formic acid 19.32
    diethyl ether 10.41
    m-xylene 11.76
    p-xylene 7.14
    chlorobenzene 16.97
    dimethyl carbonate 18.76
    n-octane 0.28
    formamide 28.46
    cyclopentanone 52.07
    2-pentanone 22.32
    anisole 15.84
    cyclopentyl methyl ether 21.89
    gamma-butyrolactone 46.93
    1-methoxy-2-propanol 45.27
    pyridine 31.78
    3-pentanone 14.16
    furfural 46.94
    n-dodecane 0.28
    diethylene glycol 48.02
    diisopropyl ether 5.05
    tert-amyl alcohol 5.03
    acetylacetone 39.27
    n-hexadecane 0.35
    acetophenone 19.89
    methyl propionate 16.93
    isopentyl acetate 20.64
    trichloroethylene 35.25
    n-nonanol 8.54
    cyclohexanol 9.12
    benzyl alcohol 17.29
    2-ethylhexanol 8.87
    isooctanol 11.17
    dipropyl ether 7.96
    1,2-dichlorobenzene 16.11
    ethyl lactate 13.85
    propylene carbonate 24.01
    n-methylformamide 29.54
    2-pentanol 6.24
    n-pentane 0.4
    1-propoxy-2-propanol 30.64
    1-methoxy-2-propyl acetate 36.42
    2-(2-methoxypropoxy) propanol 26.33
    mesitylene 7.26
    ε-caprolactone 25.63
    p-cymene 6.16
    epichlorohydrin 49.83
    1,1,1-trichloroethane 16.19
    2-aminoethanol 15.13
    morpholine-4-carbaldehyde 44.13
    sulfolane 46.97
    2,2,4-trimethylpentane 0.36
    2-methyltetrahydrofuran 21.4
    n-hexyl acetate 17.26
    isooctane 0.6
    2-(2-butoxyethoxy)ethanol 32.78
    sec-butyl acetate 10.62
    tert-butyl acetate 24.19
    decalin 0.76
    glycerin 19.42
    diglyme 57.67
    acrylic acid 14.93
    isopropyl myristate 8.08
    n-butyric acid 23.66
    acetyl acetate 23.35
    di(2-ethylhexyl) phthalate 12.64
    ethyl propionate 12.36
    nitromethane 43.18
    1,2-diethoxyethane 15.3
    benzonitrile 22.98
    trioctyl phosphate 9.57
    1-bromopropane 6.33
    gamma-valerolactone 73.33
    n-decanol 5.64
    triethyl phosphate 10.4
    4-methyl-2-pentanol 8.86
    propionitrile 19.18
    vinylene carbonate 29.58
    1,1,2-trichlorotrifluoroethane 37.57
    DMS 16.95
    cumene 4.73
    2-octanol 5.55
    2-hexanone 11.94
    octyl acetate 10.13
    limonene 6.09
    1,2-dimethoxyethane 36.5
    ethyl orthosilicate 10.03
    tributyl phosphate 8.53
    diacetone alcohol 28.77
    N,N-dimethylaniline 11.58
    acrylonitrile 29.34
    aniline 17.51
    1,3-propanediol 27.2
    bromobenzene 16.17
    dibromomethane 15.37
    1,1,2,2-tetrachloroethane 25.16
    2-methyl-cyclohexyl acetate 16.6
    tetrabutyl urea 12.13
    diisobutyl methanol 6.76
    2-phenylethanol 26.53
    styrene 5.73
    dioctyl adipate 12.14
    dimethyl sulfate 25.03
    ethyl butyrate 13.58
    methyl lactate 19.35
    butyl lactate 19.05
    diethyl carbonate 11.29
    propanediol butyl ether 21.43
    triethyl orthoformate 13.51
    p-tert-butyltoluene 6.15
    methyl 4-tert-butylbenzoate 26.65
    morpholine 36.36
    tert-butylamine 5.95
    n-dodecanol 3.71
    dimethoxymethane 56.59
    ethylene carbonate 25.3
    cyrene 31.21
    2-ethoxyethyl acetate 27.74
    2-ethylhexyl acetate 15.02
    1,2,4-trichlorobenzene 19.55
    4-methylpyridine 26.43
    dibutyl ether 4.47
    2,6-dimethyl-4-heptanol 6.76
    DEF 16.39
    dimethyl isosorbide 42.0
    tetrachloroethylene 19.5
    eugenol 29.73
    triacetin 22.08
    span 80 20.62
    1,4-butanediol 9.95
    1,1-dichloroethane 14.76
    2-methyl-1-pentanol 7.54
    methyl formate 22.6
    2-methyl-1-butanol 8.23
    n-decane 0.52
    butyronitrile 17.43
    3,7-dimethyl-1-octanol 8.38
    1-chlorooctane 2.77
    1-chlorotetradecane 1.19
    n-nonane 0.37
    undecane 0.37
    tert-butylcyclohexane 0.67
    cyclooctane 0.44
    cyclopentanol 11.23
    tetrahydropyran 21.45
    tert-amyl methyl ether 5.06
    2,5,8-trioxanonane 39.48
    1-hexene 1.14
    2-isopropoxyethanol 18.86
    2,2,2-trifluoroethanol 18.59
    methyl butyrate 14.16

    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