16-Hydroxy-5beta,8alpha,9beta,10alpha-kaurane-17,18-diyl diacetate

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  • Identifiers

    CAS number
    218281-62-0

    Molecular formula
    C24H38O5

    SMILES
    CC(=O)OC[C@@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@@H](C3)[C@@](C4)(COC(=O)C)O)C)C

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  • Odor profile

    Fragrance
    Woody 69.27%
    Fruity 42.61%
    Amber 42.56%
    Floral 42.04%
    Balsamic 39.53%
    Cedar 37.8%
    Dry 36.84%
    Fresh 34.95%
    Musk 33.46%
    Sweet 33.21%

     

    Flavor
    Sweet 53.52%
    Herbal 42.65%
    Fruity 39.78%
    Fruit 36.91%
    Bitter 36.81%
    Woody 36.73%
    Pine 36.25%
    Balsam 34.1%
    Camphor 31.34%
    Citrus 29.43%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    5.83 (weak acid)

    Molecular weight
    406.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    481°C

    Flash point

    • 230.5 ˚C est.

  • Synonyms

    • DTXSID301229939
    • Kaurane-16,17,18-triol, 17,18-diacetate, (4I+/-,16I+/-)-
    • 16-Hydroxy-5beta,8alpha,9beta,10alpha-kaurane-17,18-diyl diacetate
    • 218281-62-0
    • 218281-62-0

  • Applications

    16-Hydroxy-5beta,8alpha,9beta,10alpha-kaurane-17,18-diyl diacetate (CAS 218281-62-0) is a plant-derived diterpenoid intermediate of interest for industrial chemistry; in practice it is often regarded as a fragrance-related component and a synthetic intermediate for kaurane-type derivatives used in natural product research and production. In perfumery and fragrance applications, it can be used as an odorant or a fixative to help extend scent in fragrance formulas. In cosmetics and personal care, it may function as a fragrance ingredient or as an intermediate for formulations in skin and hair care. In industrial manufacturing, it is evaluated as an intermediate for synthesizing kaurane-type diterpenoid derivatives and can serve as a scaffold for higher-functionality compounds. In coatings, inks, and other specialty formulations, it may be explored as a resin-compatible additive or niche formulation component, depending on formulation limits and regulatory constraints. Given its plant-derived origin, it is also studied as a building block in natural product or agrochemical research, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 31.52
    methanol 22.04
    isopropanol 26.1
    water 0.12
    ethyl acetate 54.74
    n-propanol 41.19
    acetone 60.93
    n-butanol 31.73
    acetonitrile 33.78
    DMF 161.96
    toluene 40.52
    isobutanol 22.32
    1,4-dioxane 92.13
    methyl acetate 40.46
    THF 268.18
    2-butanone 53.22
    n-pentanol 18.78
    sec-butanol 12.9
    n-hexane 0.43
    ethylene glycol 5.83
    NMP 122.94
    cyclohexane 1.35
    DMSO 94.08
    n-butyl acetate 30.76
    n-octanol 7.45
    chloroform 218.84
    n-propyl acetate 28.27
    acetic acid 70.12
    dichloromethane 123.95
    cyclohexanone 84.42
    propylene glycol 10.05
    isopropyl acetate 42.71
    DMAc 138.19
    2-ethoxyethanol 54.64
    isopentanol 21.35
    n-heptane 0.32
    ethyl formate 28.56
    1,2-dichloroethane 57.08
    n-hexanol 19.67
    2-methoxyethanol 88.82
    isobutyl acetate 22.31
    tetrachloromethane 16.44
    n-pentyl acetate 23.87
    transcutol 110.44
    n-heptanol 11.9
    ethylbenzene 11.94
    MIBK 32.42
    2-propoxyethanol 98.32
    tert-butanol 18.31
    MTBE 12.36
    2-butoxyethanol 48.57
    propionic acid 34.8
    o-xylene 15.29
    formic acid 26.64
    diethyl ether 24.82
    m-xylene 21.12
    p-xylene 13.23
    chlorobenzene 52.43
    dimethyl carbonate 44.22
    n-octane 0.16
    formamide 41.41
    cyclopentanone 132.97
    2-pentanone 50.95
    anisole 37.85
    cyclopentyl methyl ether 54.01
    gamma-butyrolactone 153.19
    1-methoxy-2-propanol 93.57
    pyridine 107.35
    3-pentanone 35.57
    furfural 124.01
    n-dodecane 0.14
    diethylene glycol 60.87
    diisopropyl ether 5.58
    tert-amyl alcohol 9.8
    acetylacetone 79.65
    n-hexadecane 0.17
    acetophenone 44.01
    methyl propionate 55.43
    isopentyl acetate 30.54
    trichloroethylene 170.99
    n-nonanol 8.58
    cyclohexanol 19.67
    benzyl alcohol 39.75
    2-ethylhexanol 9.05
    isooctanol 9.37
    dipropyl ether 11.1
    1,2-dichlorobenzene 43.16
    ethyl lactate 24.75
    propylene carbonate 74.05
    n-methylformamide 65.84
    2-pentanol 11.9
    n-pentane 0.58
    1-propoxy-2-propanol 55.33
    1-methoxy-2-propyl acetate 68.84
    2-(2-methoxypropoxy) propanol 38.72
    mesitylene 8.79
    ε-caprolactone 85.08
    p-cymene 6.2
    epichlorohydrin 175.05
    1,1,1-trichloroethane 52.87
    2-aminoethanol 22.34
    morpholine-4-carbaldehyde 139.58
    sulfolane 132.92
    2,2,4-trimethylpentane 0.39
    2-methyltetrahydrofuran 65.69
    n-hexyl acetate 26.07
    isooctane 0.37
    2-(2-butoxyethoxy)ethanol 52.74
    sec-butyl acetate 21.37
    tert-butyl acetate 36.01
    decalin 0.83
    glycerin 23.94
    diglyme 99.11
    acrylic acid 36.54
    isopropyl myristate 8.2
    n-butyric acid 60.31
    acetyl acetate 53.11
    di(2-ethylhexyl) phthalate 16.34
    ethyl propionate 28.22
    nitromethane 110.36
    1,2-diethoxyethane 26.59
    benzonitrile 43.15
    trioctyl phosphate 10.24
    1-bromopropane 22.56
    gamma-valerolactone 204.15
    n-decanol 5.05
    triethyl phosphate 15.87
    4-methyl-2-pentanol 9.04
    propionitrile 33.22
    vinylene carbonate 79.34
    1,1,2-trichlorotrifluoroethane 107.52
    DMS 34.68
    cumene 6.66
    2-octanol 5.02
    2-hexanone 26.28
    octyl acetate 12.16
    limonene 6.48
    1,2-dimethoxyethane 71.83
    ethyl orthosilicate 14.64
    tributyl phosphate 11.07
    diacetone alcohol 44.33
    N,N-dimethylaniline 21.97
    acrylonitrile 47.33
    aniline 56.81
    1,3-propanediol 40.26
    bromobenzene 50.92
    dibromomethane 65.48
    1,1,2,2-tetrachloroethane 124.15
    2-methyl-cyclohexyl acetate 24.99
    tetrabutyl urea 14.91
    diisobutyl methanol 4.93
    2-phenylethanol 44.17
    styrene 15.66
    dioctyl adipate 17.87
    dimethyl sulfate 68.6
    ethyl butyrate 25.07
    methyl lactate 43.5
    butyl lactate 27.59
    diethyl carbonate 19.04
    propanediol butyl ether 32.5
    triethyl orthoformate 21.28
    p-tert-butyltoluene 5.75
    methyl 4-tert-butylbenzoate 39.14
    morpholine 121.47
    tert-butylamine 6.89
    n-dodecanol 2.87
    dimethoxymethane 129.43
    ethylene carbonate 63.7
    cyrene 54.3
    2-ethoxyethyl acetate 47.47
    2-ethylhexyl acetate 22.02
    1,2,4-trichlorobenzene 61.94
    4-methylpyridine 96.41
    dibutyl ether 5.49
    2,6-dimethyl-4-heptanol 4.93
    DEF 52.69
    dimethyl isosorbide 75.1
    tetrachloroethylene 74.38
    eugenol 43.57
    triacetin 39.52
    span 80 30.11
    1,4-butanediol 13.77
    1,1-dichloroethane 58.47
    2-methyl-1-pentanol 12.82
    methyl formate 42.13
    2-methyl-1-butanol 16.82
    n-decane 0.32
    butyronitrile 31.41
    3,7-dimethyl-1-octanol 7.45
    1-chlorooctane 2.91
    1-chlorotetradecane 0.8
    n-nonane 0.24
    undecane 0.2
    tert-butylcyclohexane 0.62
    cyclooctane 0.44
    cyclopentanol 30.46
    tetrahydropyran 66.41
    tert-amyl methyl ether 10.42
    2,5,8-trioxanonane 60.9
    1-hexene 2.81
    2-isopropoxyethanol 35.68
    2,2,2-trifluoroethanol 34.8
    methyl butyrate 33.89

    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