Diosbulbin C

Overview IFRA Request a quote

  • Identifiers

    CAS number
    20086-07-1

    Molecular formula
    C19H22O7

    SMILES
    CC12CC(OC13CC(C4C2CC(CC4C(=O)O)O)OC3=O)C5=COC=C5

    Safety labels

  • Odor profile

    Fragrance
    Odorless 59.1%
    Sweet 24.06%
    Nutty 21.95%
    Vanilla 20.66%
    Caramellic 19.91%
    Spicy 19.72%
    Roasted 19.02%
    Woody 17.98%
    Milky 17.81%
    Burnt 17.71%

     

    Flavor
    Bitter 85.13%
    Sweet-like 22.69%
    Bland 21.92%
    Cedarleaf 21.62%
    Fatty 20.67%
    Odorless 20.21%
    Naphthalic 20.08%
    Lovage 19.84%
    Fenugreek 19.74%
    Parsley 19.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    4.65 (weak acid)

    Molecular weight
    362.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1309°C

    Melting point expt.

    • 247 - 250 °C

    Flash point

    • 239.79 ˚C est.

  • Synonyms

    • Diosbulbin C
    • 20086-07-1
    • (3R,5S,6R,8R,10R,11S,12S)-3-(Furan-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.01,5.06,11]pentadecane-10-carboxylic acid
    • 3-(furan-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.01,5.06,11]pentadecane-10-carboxylic acid
    • orb1682747
    • CHEBI:175644
    • MFCD20260750
    • AKOS040761631
    • 3-(3-furyl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.01,5.06,11]pentadecane-10-carboxylic acid
    • 3-(furan-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.0^{1,5}.0^{6,11}]pentadecane-10-carboxylic acid
    • 3-(uran-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.01,5.06,11]pentadecane-10-carboxylic acid
    • 20086-07-1

  • Applications

    Diosbulbin C is primarily of interest in natural product research and synthesis, typically viewed as a natural product scaffold and may be used as an intermediate or building block in pharmaceutical synthesis and in the development of natural-product–based compound libraries; in addition, it may be evaluated as a precursor for materials science and polymer research and can serve as a reference in analytical method development within laboratory settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.84
    methanol 59.91
    isopropanol 11.58
    water 0.69
    ethyl acetate 15.35
    n-propanol 10.94
    acetone 75.66
    n-butanol 12.01
    acetonitrile 22.71
    DMF 142.87
    toluene 4.68
    isobutanol 6.91
    1,4-dioxane 48.58
    methyl acetate 16.29
    THF 112.17
    2-butanone 29.89
    n-pentanol 6.17
    sec-butanol 3.71
    n-hexane 0.06
    ethylene glycol 13.67
    NMP 63.57
    cyclohexane 0.34
    DMSO 208.09
    n-butyl acetate 11.22
    n-octanol 4.92
    chloroform 28.5
    n-propyl acetate 9.99
    acetic acid 49.38
    dichloromethane 23.43
    cyclohexanone 59.32
    propylene glycol 5.43
    isopropyl acetate 12.52
    DMAc 107.53
    2-ethoxyethanol 35.85
    isopentanol 11.78
    n-heptane 0.11
    ethyl formate 20.47
    1,2-dichloroethane 15.07
    n-hexanol 6.99
    2-methoxyethanol 95.43
    isobutyl acetate 6.62
    tetrachloromethane 3.01
    n-pentyl acetate 11.33
    transcutol 37.48
    n-heptanol 7.05
    ethylbenzene 1.85
    MIBK 16.9
    2-propoxyethanol 45.4
    tert-butanol 10.43
    MTBE 2.64
    2-butoxyethanol 26.25
    propionic acid 13.25
    o-xylene 2.95
    formic acid 56.76
    diethyl ether 5.56
    m-xylene 3.46
    p-xylene 2.96
    chlorobenzene 6.42
    dimethyl carbonate 22.0
    n-octane 0.11
    formamide 89.48
    cyclopentanone 83.4
    2-pentanone 27.35
    anisole 6.44
    cyclopentyl methyl ether 13.47
    gamma-butyrolactone 71.25
    1-methoxy-2-propanol 56.97
    pyridine 31.94
    3-pentanone 15.4
    furfural 59.69
    n-dodecane 0.14
    diethylene glycol 57.95
    diisopropyl ether 1.42
    tert-amyl alcohol 4.08
    acetylacetone 45.16
    n-hexadecane 0.17
    acetophenone 13.74
    methyl propionate 18.01
    isopentyl acetate 11.13
    trichloroethylene 37.69
    n-nonanol 5.71
    cyclohexanol 9.04
    benzyl alcohol 13.65
    2-ethylhexanol 3.68
    isooctanol 5.75
    dipropyl ether 3.15
    1,2-dichlorobenzene 6.75
    ethyl lactate 11.56
    propylene carbonate 25.72
    n-methylformamide 71.43
    2-pentanol 3.95
    n-pentane 0.09
    1-propoxy-2-propanol 21.08
    1-methoxy-2-propyl acetate 22.13
    2-(2-methoxypropoxy) propanol 19.07
    mesitylene 2.13
    ε-caprolactone 34.93
    p-cymene 1.93
    epichlorohydrin 66.96
    1,1,1-trichloroethane 9.14
    2-aminoethanol 14.09
    morpholine-4-carbaldehyde 88.86
    sulfolane 88.8
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 16.97
    n-hexyl acetate 11.35
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 25.28
    sec-butyl acetate 5.79
    tert-butyl acetate 11.72
    decalin 0.2
    glycerin 27.01
    diglyme 47.08
    acrylic acid 20.11
    isopropyl myristate 4.88
    n-butyric acid 25.64
    acetyl acetate 16.2
    di(2-ethylhexyl) phthalate 8.59
    ethyl propionate 8.74
    nitromethane 103.33
    1,2-diethoxyethane 9.85
    benzonitrile 16.31
    trioctyl phosphate 6.96
    1-bromopropane 3.25
    gamma-valerolactone 121.84
    n-decanol 3.89
    triethyl phosphate 5.87
    4-methyl-2-pentanol 4.05
    propionitrile 15.68
    vinylene carbonate 31.12
    1,1,2-trichlorotrifluoroethane 50.29
    DMS 13.13
    cumene 1.39
    2-octanol 3.51
    2-hexanone 12.93
    octyl acetate 6.86
    limonene 2.21
    1,2-dimethoxyethane 55.5
    ethyl orthosilicate 5.06
    tributyl phosphate 6.77
    diacetone alcohol 26.92
    N,N-dimethylaniline 5.04
    acrylonitrile 28.2
    aniline 9.78
    1,3-propanediol 36.07
    bromobenzene 5.32
    dibromomethane 9.99
    1,1,2,2-tetrachloroethane 23.23
    2-methyl-cyclohexyl acetate 8.75
    tetrabutyl urea 11.85
    diisobutyl methanol 2.61
    2-phenylethanol 15.57
    styrene 2.2
    dioctyl adipate 8.81
    dimethyl sulfate 39.18
    ethyl butyrate 7.52
    methyl lactate 24.86
    butyl lactate 13.59
    diethyl carbonate 6.04
    propanediol butyl ether 17.19
    triethyl orthoformate 6.6
    p-tert-butyltoluene 1.71
    methyl 4-tert-butylbenzoate 16.33
    morpholine 46.82
    tert-butylamine 2.09
    n-dodecanol 2.59
    dimethoxymethane 89.53
    ethylene carbonate 28.5
    cyrene 31.38
    2-ethoxyethyl acetate 18.41
    2-ethylhexyl acetate 7.5
    1,2,4-trichlorobenzene 9.05
    4-methylpyridine 23.36
    dibutyl ether 2.84
    2,6-dimethyl-4-heptanol 2.61
    DEF 27.49
    dimethyl isosorbide 31.3
    tetrachloroethylene 17.54
    eugenol 19.61
    triacetin 15.11
    span 80 15.35
    1,4-butanediol 12.62
    1,1-dichloroethane 9.33
    2-methyl-1-pentanol 5.03
    methyl formate 62.12
    2-methyl-1-butanol 6.36
    n-decane 0.25
    butyronitrile 14.84
    3,7-dimethyl-1-octanol 4.1
    1-chlorooctane 1.44
    1-chlorotetradecane 0.65
    n-nonane 0.18
    undecane 0.18
    tert-butylcyclohexane 0.12
    cyclooctane 0.14
    cyclopentanol 12.2
    tetrahydropyran 19.6
    tert-amyl methyl ether 2.36
    2,5,8-trioxanonane 34.11
    1-hexene 0.43
    2-isopropoxyethanol 17.97
    2,2,2-trifluoroethanol 26.83
    methyl butyrate 13.66

    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