Taxodione

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  • Identifiers

    CAS number
    19026-31-4

    Molecular formula
    C20H26O3

    SMILES
    CC(C)C1=CC2=CC(=O)[C@@H]3[C@@](C2=C(C1=O)O)(CCCC3(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 56.09%
    Fruity 47.04%
    Spicy 39.6%
    Mint 38.15%
    Tobacco 35.91%
    Dry 32.71%
    Camphoreous 29.37%
    Cedar 28.4%
    Herbal 27.75%
    Sweet 26.6%

     

    Flavor
    Bitter 68.03%
    Cedarleaf 21.17%
    Lovage 20.79%
    Basil 20.64%
    Ripe apricot 20.56%
    Red fruit 20.55%
    Leaves 20.22%
    Minty 19.91%
    Parsley 19.5%
    Heather 19.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    6.82 (neutral)

    Molecular weight
    314.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    467°C

    Flash point

    • 207.13 ˚C est.

  • Synonyms

    • Taxodione
    • Taxodione, (+)-
    • 19026-31-4
    • W96G420HJX
    • (4bS,8aS)-4-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione
    • Podocarpa-7,9(11),13-triene-6,12-dione, 11-hydroxy-13-isopropyl-
    • NSC-122419
    • 3,9-Phenanthrenedione, 4b,5,6,7,8,8a-hexahydro-4-hydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS-trans)-
    • (4bS,8aS)-4-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione
    • RefChem:932606
    • Taxodion
    • CHEBI:9419
    • 3,9-Phenanthrenedione, 4b,5,6,7,8,8a-hexahydro-4-hydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS,8aS)-
    • AC1Q6CEN
    • AC1L2K4Y
    • UNII-W96G420HJX
    • [taxodione]
    • NSC 122419
    • 4p0x
    • TAXODIONE [MI]
    • (+)-TAXODIONE
    • CHEMBL235195
    • SCHEMBL3847860
    • BDBM50528245
    • C09194
    • Q27108386
    • (4bS)-4-Hydroxy-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a-hexahydrophenanthrene-3,9-dione
    • 19026-31-4

  • Applications

    Taxodione (CAS 19026-31-4) is primarily of interest in natural product chemistry and taxane-related research as an intermediate for the synthesis of taxane derivatives; it also serves as a reference material for isolation, structure elucidation, and analytical method development. In chemical synthesis, it can act as a redox-active building block for quinone-containing compounds, including pigment precursors for coatings and inks, and as a scaffold for organic electronic material research. In formulation and product development, it may be evaluated in cosmetics/personal care formulations or as a pigment precursor for cosmetics, depending on local regulations and formulation limits. It is also used as an analytical standard in method development for natural products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 43.28
    methanol 38.82
    isopropanol 42.12
    water 0.06
    ethyl acetate 91.46
    n-propanol 56.0
    acetone 83.28
    n-butanol 61.96
    acetonitrile 40.88
    DMF 288.5
    toluene 115.47
    isobutanol 46.55
    1,4-dioxane 139.73
    methyl acetate 76.29
    THF 374.74
    2-butanone 97.3
    n-pentanol 36.29
    sec-butanol 41.8
    n-hexane 5.03
    ethylene glycol 11.9
    NMP 355.13
    cyclohexane 9.26
    DMSO 106.83
    n-butyl acetate 71.08
    n-octanol 15.19
    chloroform 243.96
    n-propyl acetate 47.69
    acetic acid 77.62
    dichloromethane 196.12
    cyclohexanone 198.66
    propylene glycol 22.33
    isopropyl acetate 73.04
    DMAc 202.25
    2-ethoxyethanol 51.36
    isopentanol 55.98
    n-heptane 3.24
    ethyl formate 47.59
    1,2-dichloroethane 160.29
    n-hexanol 56.77
    2-methoxyethanol 116.59
    isobutyl acetate 39.0
    tetrachloromethane 29.78
    n-pentyl acetate 54.37
    transcutol 120.95
    n-heptanol 26.18
    ethylbenzene 33.3
    MIBK 71.01
    2-propoxyethanol 120.22
    tert-butanol 46.16
    MTBE 38.69
    2-butoxyethanol 59.2
    propionic acid 61.18
    o-xylene 52.32
    formic acid 30.53
    diethyl ether 61.48
    m-xylene 73.62
    p-xylene 38.19
    chlorobenzene 111.47
    dimethyl carbonate 74.82
    n-octane 1.22
    formamide 47.46
    cyclopentanone 269.15
    2-pentanone 104.18
    anisole 54.54
    cyclopentyl methyl ether 147.22
    gamma-butyrolactone 276.74
    1-methoxy-2-propanol 121.67
    pyridine 199.82
    3-pentanone 86.41
    furfural 198.98
    n-dodecane 0.79
    diethylene glycol 72.86
    diisopropyl ether 21.98
    tert-amyl alcohol 38.98
    acetylacetone 109.37
    n-hexadecane 0.98
    acetophenone 65.9
    methyl propionate 103.8
    isopentyl acetate 69.68
    trichloroethylene 335.82
    n-nonanol 16.6
    cyclohexanol 73.2
    benzyl alcohol 58.38
    2-ethylhexanol 32.27
    isooctanol 22.6
    dipropyl ether 30.99
    1,2-dichlorobenzene 99.73
    ethyl lactate 36.61
    propylene carbonate 132.91
    n-methylformamide 108.09
    2-pentanol 43.7
    n-pentane 6.07
    1-propoxy-2-propanol 86.41
    1-methoxy-2-propyl acetate 111.15
    2-(2-methoxypropoxy) propanol 55.27
    mesitylene 33.97
    ε-caprolactone 164.18
    p-cymene 21.9
    epichlorohydrin 299.84
    1,1,1-trichloroethane 123.1
    2-aminoethanol 28.8
    morpholine-4-carbaldehyde 256.6
    sulfolane 288.43
    2,2,4-trimethylpentane 3.64
    2-methyltetrahydrofuran 177.03
    n-hexyl acetate 59.45
    isooctane 3.17
    2-(2-butoxyethoxy)ethanol 65.79
    sec-butyl acetate 39.66
    tert-butyl acetate 73.82
    decalin 5.89
    glycerin 42.21
    diglyme 119.42
    acrylic acid 67.66
    isopropyl myristate 21.26
    n-butyric acid 91.43
    acetyl acetate 63.68
    di(2-ethylhexyl) phthalate 33.97
    ethyl propionate 53.89
    nitromethane 126.1
    1,2-diethoxyethane 44.46
    benzonitrile 76.01
    trioctyl phosphate 23.75
    1-bromopropane 75.56
    gamma-valerolactone 304.87
    n-decanol 11.92
    triethyl phosphate 30.21
    4-methyl-2-pentanol 31.98
    propionitrile 57.41
    vinylene carbonate 126.63
    1,1,2-trichlorotrifluoroethane 166.92
    DMS 75.14
    cumene 21.47
    2-octanol 15.27
    2-hexanone 51.47
    octyl acetate 29.57
    limonene 28.77
    1,2-dimethoxyethane 89.11
    ethyl orthosilicate 29.54
    tributyl phosphate 25.05
    diacetone alcohol 89.73
    N,N-dimethylaniline 44.02
    acrylonitrile 82.13
    aniline 105.16
    1,3-propanediol 53.33
    bromobenzene 121.35
    dibromomethane 128.68
    1,1,2,2-tetrachloroethane 225.92
    2-methyl-cyclohexyl acetate 49.87
    tetrabutyl urea 36.16
    diisobutyl methanol 18.94
    2-phenylethanol 73.32
    styrene 37.0
    dioctyl adipate 34.8
    dimethyl sulfate 117.67
    ethyl butyrate 45.42
    methyl lactate 70.82
    butyl lactate 47.97
    diethyl carbonate 33.7
    propanediol butyl ether 44.45
    triethyl orthoformate 37.09
    p-tert-butyltoluene 22.03
    methyl 4-tert-butylbenzoate 67.28
    morpholine 200.4
    tert-butylamine 26.65
    n-dodecanol 8.37
    dimethoxymethane 166.48
    ethylene carbonate 102.61
    cyrene 82.85
    2-ethoxyethyl acetate 79.2
    2-ethylhexyl acetate 56.69
    1,2,4-trichlorobenzene 122.8
    4-methylpyridine 195.46
    dibutyl ether 15.52
    2,6-dimethyl-4-heptanol 18.94
    DEF 127.95
    dimethyl isosorbide 119.86
    tetrachloroethylene 143.13
    eugenol 64.93
    triacetin 58.31
    span 80 50.78
    1,4-butanediol 18.65
    1,1-dichloroethane 122.93
    2-methyl-1-pentanol 36.88
    methyl formate 79.12
    2-methyl-1-butanol 53.35
    n-decane 1.6
    butyronitrile 60.61
    3,7-dimethyl-1-octanol 19.82
    1-chlorooctane 11.66
    1-chlorotetradecane 4.35
    n-nonane 1.34
    undecane 1.08
    tert-butylcyclohexane 4.72
    cyclooctane 3.49
    cyclopentanol 90.48
    tetrahydropyran 150.79
    tert-amyl methyl ether 40.5
    2,5,8-trioxanonane 75.36
    1-hexene 18.25
    2-isopropoxyethanol 41.13
    2,2,2-trifluoroethanol 42.54
    methyl butyrate 61.07

    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