6beta,7beta-Dihydroxykaurenoic acid

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  • Identifiers

    CAS number
    26109-32-0

    Molecular formula
    C20H30O4

    SMILES
    C[C@@]12CCC[C@@]([C@H]1[C@@H]([C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)O)O)(C)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 55.12%
    Odorless 40.43%
    Spicy 40.11%
    Balsamic 33.79%
    Herbal 31.68%
    Cedar 29.57%
    Cooling 29.11%
    Amber 27.04%
    Mint 26.69%
    Camphoreous 26.44%

     

    Flavor
    Bitter 63.2%
    Minty 23.88%
    Cedarleaf 23.14%
    Odorless 22.15%
    Fruity 21.75%
    Ripe apricot 21.59%
    Patchouli 21.45%
    Sweet-like 21.44%
    Beet 21.35%
    Soil 21.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.3 (neutral)

    Molecular weight
    334.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    423°C

    Flash point

    • 231.69 ˚C est.

  • Synonyms

    • 6beta,7beta-Dihydroxykaurenoic acid
    • 26109-32-0
    • (1R,2R,3S,4S,5R,9S,10S,13R)-2,3-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
    • ent-6alpha,7alpha-Dihydroxykaur-16-en-19-oic acid
    • DTXSID80332098
    • (1R,2R,3S,4S,5R,9S,10S,13R)-2,3-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo(11.2.1.01,10.04,9)hexadecane-5-carboxylic acid
    • RefChem:105352
    • DTXCID80283192
    • C11876
    • CHEBI:29502
    • Q27110102
    • 26109-32-0

  • Applications

    6beta,7beta-Dihydroxykaurenoic acid, CAS 26109-32-0, is primarily used as an intermediate in the synthesis of diterpenoid derivatives and related natural products; it is also evaluated as a precursor for fragrance chemistry and perfumery due to its rigid diterpene framework, and can serve as a building block for cosmetic and personal-care ingredients derived from diterpenoids. Additionally, it may be employed as a starting material for biobased polymers and plastics or as an intermediate in agricultural chemistry, including plant-growth regulator formulations or agrochemical intermediates. Actual applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26.77
    methanol 121.54
    isopropanol 34.71
    water 0.41
    ethyl acetate 8.33
    n-propanol 25.48
    acetone 18.9
    n-butanol 24.05
    acetonitrile 6.36
    DMF 96.15
    toluene 8.26
    isobutanol 13.97
    1,4-dioxane 47.69
    methyl acetate 6.54
    THF 205.07
    2-butanone 11.54
    n-pentanol 7.39
    sec-butanol 6.47
    n-hexane 0.12
    ethylene glycol 19.33
    NMP 32.0
    cyclohexane 0.28
    DMSO 89.48
    n-butyl acetate 8.56
    n-octanol 4.31
    chloroform 16.88
    n-propyl acetate 4.83
    acetic acid 21.65
    dichloromethane 9.97
    cyclohexanone 25.51
    propylene glycol 14.42
    isopropyl acetate 10.81
    DMAc 37.57
    2-ethoxyethanol 32.89
    isopentanol 19.04
    n-heptane 0.18
    ethyl formate 8.25
    1,2-dichloroethane 7.63
    n-hexanol 13.37
    2-methoxyethanol 117.29
    isobutyl acetate 4.37
    tetrachloromethane 2.84
    n-pentyl acetate 9.95
    transcutol 36.99
    n-heptanol 10.08
    ethylbenzene 3.05
    MIBK 14.8
    2-propoxyethanol 72.72
    tert-butanol 26.2
    MTBE 4.28
    2-butoxyethanol 35.47
    propionic acid 8.55
    o-xylene 4.4
    formic acid 34.27
    diethyl ether 6.48
    m-xylene 8.26
    p-xylene 3.34
    chlorobenzene 6.14
    dimethyl carbonate 13.16
    n-octane 0.13
    formamide 40.79
    cyclopentanone 57.85
    2-pentanone 17.33
    anisole 8.56
    cyclopentyl methyl ether 21.26
    gamma-butyrolactone 45.93
    1-methoxy-2-propanol 100.25
    pyridine 25.0
    3-pentanone 7.14
    furfural 39.13
    n-dodecane 0.08
    diethylene glycol 75.82
    diisopropyl ether 2.14
    tert-amyl alcohol 6.22
    acetylacetone 26.96
    n-hexadecane 0.1
    acetophenone 10.98
    methyl propionate 10.33
    isopentyl acetate 9.92
    trichloroethylene 19.45
    n-nonanol 4.89
    cyclohexanol 9.76
    benzyl alcohol 15.56
    2-ethylhexanol 4.64
    isooctanol 7.65
    dipropyl ether 4.18
    1,2-dichlorobenzene 5.96
    ethyl lactate 8.89
    propylene carbonate 16.35
    n-methylformamide 48.93
    2-pentanol 8.6
    n-pentane 0.21
    1-propoxy-2-propanol 38.22
    1-methoxy-2-propyl acetate 25.14
    2-(2-methoxypropoxy) propanol 18.4
    mesitylene 4.28
    ε-caprolactone 17.28
    p-cymene 2.84
    epichlorohydrin 54.44
    1,1,1-trichloroethane 5.08
    2-aminoethanol 35.69
    morpholine-4-carbaldehyde 57.61
    sulfolane 56.22
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 19.78
    n-hexyl acetate 9.71
    isooctane 0.22
    2-(2-butoxyethoxy)ethanol 27.57
    sec-butyl acetate 3.99
    tert-butyl acetate 13.89
    decalin 0.25
    glycerin 44.97
    diglyme 47.2
    acrylic acid 11.52
    isopropyl myristate 3.11
    n-butyric acid 19.77
    acetyl acetate 8.79
    di(2-ethylhexyl) phthalate 6.94
    ethyl propionate 5.3
    nitromethane 28.81
    1,2-diethoxyethane 9.27
    benzonitrile 11.06
    trioctyl phosphate 5.42
    1-bromopropane 2.65
    gamma-valerolactone 75.8
    n-decanol 2.79
    triethyl phosphate 4.33
    4-methyl-2-pentanol 8.11
    propionitrile 7.01
    vinylene carbonate 17.48
    1,1,2-trichlorotrifluoroethane 43.86
    DMS 9.1
    cumene 2.3
    2-octanol 4.13
    2-hexanone 5.94
    octyl acetate 4.54
    limonene 2.54
    1,2-dimethoxyethane 39.58
    ethyl orthosilicate 4.17
    tributyl phosphate 4.15
    diacetone alcohol 29.59
    N,N-dimethylaniline 6.74
    acrylonitrile 12.98
    aniline 14.32
    1,3-propanediol 62.88
    bromobenzene 5.11
    dibromomethane 5.07
    1,1,2,2-tetrachloroethane 15.7
    2-methyl-cyclohexyl acetate 6.94
    tetrabutyl urea 6.38
    diisobutyl methanol 3.75
    2-phenylethanol 21.87
    styrene 2.76
    dioctyl adipate 5.41
    dimethyl sulfate 22.02
    ethyl butyrate 5.5
    methyl lactate 21.98
    butyl lactate 14.06
    diethyl carbonate 3.75
    propanediol butyl ether 22.78
    triethyl orthoformate 5.75
    p-tert-butyltoluene 2.89
    methyl 4-tert-butylbenzoate 18.27
    morpholine 56.48
    tert-butylamine 6.08
    n-dodecanol 1.56
    dimethoxymethane 96.32
    ethylene carbonate 14.13
    cyrene 25.96
    2-ethoxyethyl acetate 16.99
    2-ethylhexyl acetate 6.08
    1,2,4-trichlorobenzene 7.92
    4-methylpyridine 18.53
    dibutyl ether 2.04
    2,6-dimethyl-4-heptanol 3.75
    DEF 12.99
    dimethyl isosorbide 34.2
    tetrachloroethylene 12.73
    eugenol 22.46
    triacetin 10.86
    span 80 16.43
    1,4-butanediol 13.26
    1,1-dichloroethane 5.58
    2-methyl-1-pentanol 5.15
    methyl formate 32.55
    2-methyl-1-butanol 9.51
    n-decane 0.18
    butyronitrile 8.27
    3,7-dimethyl-1-octanol 4.08
    1-chlorooctane 1.14
    1-chlorotetradecane 0.35
    n-nonane 0.14
    undecane 0.12
    tert-butylcyclohexane 0.24
    cyclooctane 0.18
    cyclopentanol 16.97
    tetrahydropyran 19.45
    tert-amyl methyl ether 2.86
    2,5,8-trioxanonane 28.83
    1-hexene 0.68
    2-isopropoxyethanol 17.64
    2,2,2-trifluoroethanol 12.87
    methyl butyrate 6.78

    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