(4alpha)-18-Hydroxykauran-17-oic acid

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  • Identifiers

    CAS number
    106454-60-8

    Molecular formula
    C20H32O3

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 63.48%
    Balsamic 47.84%
    Amber 45.27%
    Dry 38.88%
    Sandalwood 34.29%
    Cedar 33.99%
    Animal 33.73%
    Musk 32.17%
    Spicy 29.24%
    Herbal 28.77%

     

    Flavor
    Sweet 37.65%
    Fruity 36.08%
    Fruit 30.71%
    Woody 29.16%
    Earthy 27.77%
    Balsam 26.73%
    Spicy 26.09%
    Herbal 24.01%
    Soil 23.11%
    Beet 22.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    6.92 (neutral)

    Molecular weight
    320.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    412°C

    Flash point

    • 230.64 ˚C est.

  • Synonyms

    • 106454-60-8
    • RefChem:209034
    • (4alpha)-18-Hydroxykauran-17-oic acid
    • DTXSID101299661
    • (4I+/-)-18-Hydroxykauran-17-oic acid
    • 18-Hydroxy-5beta,8alpha,9beta,10alpha,16beta-kauran-17-oic acid
    • 106454-60-8

  • Applications

    Chemical name: (4alpha)-18-Hydroxykauran-17-oic acid; CAS number: 106454-60-8. It is primarily regarded as a synthetic intermediate for kaurane-type diterpenoids in pharmaceutical research and development; in cosmetics and personal care, it may be used as a precursor or fragrance ingredient for skin-care formulations and perfumery; in the polymers/plastics industry, it can serve as a chiral building block or a functional starting material for the synthesis of monomers or modifiers used in specialty polymers and coatings; in coatings and inks, it may be employed as an intermediate to tailor properties of resin systems and formulations, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 91.37
    methanol 117.73
    isopropanol 75.92
    water 0.93
    ethyl acetate 59.13
    n-propanol 88.77
    acetone 95.65
    n-butanol 72.68
    acetonitrile 37.86
    DMF 125.74
    toluene 54.25
    isobutanol 42.55
    1,4-dioxane 138.83
    methyl acetate 34.68
    THF 499.88
    2-butanone 53.86
    n-pentanol 16.27
    sec-butanol 16.6
    n-hexane 0.64
    ethylene glycol 17.34
    NMP 50.53
    cyclohexane 2.02
    DMSO 115.1
    n-butyl acetate 37.02
    n-octanol 10.62
    chloroform 108.69
    n-propyl acetate 23.02
    acetic acid 48.4
    dichloromethane 66.95
    cyclohexanone 84.72
    propylene glycol 17.06
    isopropyl acetate 57.24
    DMAc 64.3
    2-ethoxyethanol 54.51
    isopentanol 46.92
    n-heptane 0.78
    ethyl formate 30.07
    1,2-dichloroethane 48.41
    n-hexanol 32.84
    2-methoxyethanol 172.1
    isobutyl acetate 20.81
    tetrachloromethane 14.54
    n-pentyl acetate 30.87
    transcutol 139.4
    n-heptanol 21.39
    ethylbenzene 12.54
    MIBK 54.01
    2-propoxyethanol 126.78
    tert-butanol 55.94
    MTBE 27.82
    2-butoxyethanol 67.21
    propionic acid 29.16
    o-xylene 21.39
    formic acid 34.38
    diethyl ether 44.67
    m-xylene 38.85
    p-xylene 13.33
    chlorobenzene 39.52
    dimethyl carbonate 40.65
    n-octane 0.45
    formamide 58.47
    cyclopentanone 154.46
    2-pentanone 73.71
    anisole 32.22
    cyclopentyl methyl ether 80.95
    gamma-butyrolactone 133.55
    1-methoxy-2-propanol 155.94
    pyridine 103.61
    3-pentanone 34.79
    furfural 102.39
    n-dodecane 0.31
    diethylene glycol 93.94
    diisopropyl ether 12.67
    tert-amyl alcohol 15.65
    acetylacetone 94.18
    n-hexadecane 0.39
    acetophenone 32.67
    methyl propionate 50.64
    isopentyl acetate 41.17
    trichloroethylene 108.1
    n-nonanol 11.69
    cyclohexanol 30.91
    benzyl alcohol 33.56
    2-ethylhexanol 13.79
    isooctanol 16.82
    dipropyl ether 16.8
    1,2-dichlorobenzene 31.51
    ethyl lactate 23.44
    propylene carbonate 56.34
    n-methylformamide 89.76
    2-pentanol 24.36
    n-pentane 1.3
    1-propoxy-2-propanol 74.18
    1-methoxy-2-propyl acetate 85.05
    2-(2-methoxypropoxy) propanol 40.91
    mesitylene 18.79
    ε-caprolactone 64.75
    p-cymene 9.74
    epichlorohydrin 151.61
    1,1,1-trichloroethane 37.83
    2-aminoethanol 47.38
    morpholine-4-carbaldehyde 94.12
    sulfolane 111.82
    2,2,4-trimethylpentane 0.66
    2-methyltetrahydrofuran 86.84
    n-hexyl acetate 29.47
    isooctane 1.11
    2-(2-butoxyethoxy)ethanol 64.33
    sec-butyl acetate 19.93
    tert-butyl acetate 59.52
    decalin 1.1
    glycerin 42.66
    diglyme 112.91
    acrylic acid 29.94
    isopropyl myristate 10.51
    n-butyric acid 68.76
    acetyl acetate 43.47
    di(2-ethylhexyl) phthalate 17.27
    ethyl propionate 25.35
    nitromethane 83.16
    1,2-diethoxyethane 35.69
    benzonitrile 37.42
    trioctyl phosphate 13.29
    1-bromopropane 19.99
    gamma-valerolactone 190.92
    n-decanol 7.41
    triethyl phosphate 15.0
    4-methyl-2-pentanol 21.6
    propionitrile 42.55
    vinylene carbonate 57.98
    1,1,2-trichlorotrifluoroethane 83.48
    DMS 32.79
    cumene 8.44
    2-octanol 9.3
    2-hexanone 19.62
    octyl acetate 13.63
    limonene 9.18
    1,2-dimethoxyethane 82.65
    ethyl orthosilicate 14.53
    tributyl phosphate 11.88
    diacetone alcohol 68.1
    N,N-dimethylaniline 20.1
    acrylonitrile 56.79
    aniline 60.91
    1,3-propanediol 93.12
    bromobenzene 36.07
    dibromomethane 41.68
    1,1,2,2-tetrachloroethane 74.67
    2-methyl-cyclohexyl acetate 22.89
    tetrabutyl urea 15.03
    diisobutyl methanol 10.56
    2-phenylethanol 48.46
    styrene 13.79
    dioctyl adipate 16.47
    dimethyl sulfate 53.77
    ethyl butyrate 25.14
    methyl lactate 43.69
    butyl lactate 36.01
    diethyl carbonate 17.42
    propanediol butyl ether 41.13
    triethyl orthoformate 22.31
    p-tert-butyltoluene 10.08
    methyl 4-tert-butylbenzoate 44.96
    morpholine 161.69
    tert-butylamine 20.49
    n-dodecanol 4.58
    dimethoxymethane 210.34
    ethylene carbonate 54.93
    cyrene 43.83
    2-ethoxyethyl acetate 56.37
    2-ethylhexyl acetate 25.86
    1,2,4-trichlorobenzene 36.94
    4-methylpyridine 80.94
    dibutyl ether 7.75
    2,6-dimethyl-4-heptanol 10.56
    DEF 41.22
    dimethyl isosorbide 75.24
    tetrachloroethylene 55.23
    eugenol 47.03
    triacetin 36.49
    span 80 34.03
    1,4-butanediol 17.08
    1,1-dichloroethane 44.71
    2-methyl-1-pentanol 12.85
    methyl formate 56.4
    2-methyl-1-butanol 25.51
    n-decane 0.67
    butyronitrile 44.62
    3,7-dimethyl-1-octanol 11.68
    1-chlorooctane 4.25
    1-chlorotetradecane 1.32
    n-nonane 0.54
    undecane 0.44
    tert-butylcyclohexane 1.02
    cyclooctane 0.96
    cyclopentanol 41.48
    tetrahydropyran 108.45
    tert-amyl methyl ether 13.7
    2,5,8-trioxanonane 63.72
    1-hexene 3.08
    2-isopropoxyethanol 35.74
    2,2,2-trifluoroethanol 30.21
    methyl butyrate 27.18

    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