Diosbulbin B

Overview IFRA Request a quote

  • Identifiers

    CAS number
    20086-06-0

    Molecular formula
    C19H20O6

    SMILES
    CC12CC(OC13CC(C4C2CC5CC4C(=O)O5)OC3=O)C6=COC=C6

    Safety labels

  • Odor profile

    Fragrance
    Sweet 38.86%
    Nutty 37.1%
    Woody 37.03%
    Spicy 34.49%
    Coumarinic 33.96%
    Green 31.06%
    Coconut 29.92%
    Odorless 27.4%
    Lactonic 25.87%
    Herbal 24.28%

     

    Flavor
    Bitter 90.56%
    Cedarleaf 20.8%
    Sweet-like 20.18%
    Naphthalic 19.14%
    Cereal 18.78%
    Lovage 18.61%
    Alkaline 18.37%
    Ripe apricot 18.25%
    Fenugreek 18.24%
    Parsley 18.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    5.03 (weak acid)

    Molecular weight
    344.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    1016°C

    Melting point expt.

    • 285 °C

    Flash point

    • 199.01 ˚C est.

  • Synonyms

    • Diosbulbin B
    • 20086-06-0
    • RefChem:312387
    • Diosbulbin-B
    • (3R,5S,6R,8R,11R,12S,13S)-3-(Furan-3-yl)-5-methyl-2,9,14-trioxapentacyclo[11.2.1.18,11.01,5.06,12]heptadecane-10,15-dione
    • 3-(furan-3-yl)-5-methyl-2,9,14-trioxapentacyclo[11.2.1.18,11.01,5.06,12]heptadecane-10,15-dione
    • CID 9974762
    • LS-14714
    • 8b,12a:15,16-Diepoxy-19-nor-13(16),14-clerodadiene-17,6b:18,2a-diolide
    • 20086-06-0

  • Applications

    Diosbulbin B (CAS 20086-06-0) is primarily used in research and development as a natural product: as a reference compound for structure-activity studies and as a precursor for the synthesis of derivatives; it is evaluated for biological activity in screening programs; it is used as an analytical reference standard for quantitative and qualitative methods; and it serves as an intermediate in natural product and organic synthesis to develop new derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.85
    methanol 8.53
    isopropanol 4.2
    water 0.17
    ethyl acetate 22.63
    n-propanol 3.88
    acetone 47.3
    n-butanol 5.99
    acetonitrile 24.45
    DMF 66.73
    toluene 17.08
    isobutanol 4.19
    1,4-dioxane 49.12
    methyl acetate 21.36
    THF 65.73
    2-butanone 30.25
    n-pentanol 3.78
    sec-butanol 2.19
    n-hexane 0.08
    ethylene glycol 4.45
    NMP 50.61
    cyclohexane 0.54
    DMSO 65.58
    n-butyl acetate 16.23
    n-octanol 3.89
    chloroform 81.84
    n-propyl acetate 14.58
    acetic acid 29.29
    dichloromethane 54.96
    cyclohexanone 73.87
    propylene glycol 1.87
    isopropyl acetate 21.46
    DMAc 72.45
    2-ethoxyethanol 20.17
    isopentanol 8.86
    n-heptane 0.15
    ethyl formate 18.24
    1,2-dichloroethane 29.37
    n-hexanol 6.03
    2-methoxyethanol 40.23
    isobutyl acetate 13.54
    tetrachloromethane 6.28
    n-pentyl acetate 14.33
    transcutol 53.85
    n-heptanol 6.06
    ethylbenzene 4.79
    MIBK 23.43
    2-propoxyethanol 37.36
    tert-butanol 6.06
    MTBE 3.08
    2-butoxyethanol 23.75
    propionic acid 11.64
    o-xylene 8.52
    formic acid 22.35
    diethyl ether 5.58
    m-xylene 10.69
    p-xylene 8.37
    chlorobenzene 23.85
    dimethyl carbonate 28.8
    n-octane 0.12
    formamide 40.07
    cyclopentanone 78.69
    2-pentanone 30.06
    anisole 13.19
    cyclopentyl methyl ether 15.22
    gamma-butyrolactone 76.02
    1-methoxy-2-propanol 30.65
    pyridine 51.77
    3-pentanone 22.87
    furfural 84.27
    n-dodecane 0.21
    diethylene glycol 40.71
    diisopropyl ether 2.25
    tert-amyl alcohol 2.95
    acetylacetone 65.33
    n-hexadecane 0.27
    acetophenone 24.89
    methyl propionate 22.4
    isopentyl acetate 18.49
    trichloroethylene 90.74
    n-nonanol 5.14
    cyclohexanol 9.06
    benzyl alcohol 19.58
    2-ethylhexanol 4.88
    isooctanol 5.95
    dipropyl ether 3.99
    1,2-dichlorobenzene 23.42
    ethyl lactate 14.9
    propylene carbonate 38.28
    n-methylformamide 32.36
    2-pentanol 3.08
    n-pentane 0.11
    1-propoxy-2-propanol 20.26
    1-methoxy-2-propyl acetate 32.79
    2-(2-methoxypropoxy) propanol 25.34
    mesitylene 5.59
    ε-caprolactone 43.06
    p-cymene 4.5
    epichlorohydrin 72.64
    1,1,1-trichloroethane 24.42
    2-aminoethanol 4.8
    morpholine-4-carbaldehyde 82.58
    sulfolane 77.45
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 16.99
    n-hexyl acetate 15.05
    isooctane 0.16
    2-(2-butoxyethoxy)ethanol 29.06
    sec-butyl acetate 11.44
    tert-butyl acetate 20.08
    decalin 0.37
    glycerin 13.07
    diglyme 57.06
    acrylic acid 18.76
    isopropyl myristate 8.47
    n-butyric acid 25.95
    acetyl acetate 31.53
    di(2-ethylhexyl) phthalate 14.46
    ethyl propionate 15.11
    nitromethane 81.39
    1,2-diethoxyethane 13.73
    benzonitrile 33.84
    trioctyl phosphate 9.09
    1-bromopropane 6.08
    gamma-valerolactone 119.92
    n-decanol 3.89
    triethyl phosphate 11.11
    4-methyl-2-pentanol 4.41
    propionitrile 20.83
    vinylene carbonate 52.28
    1,1,2-trichlorotrifluoroethane 59.29
    DMS 23.45
    cumene 3.45
    2-octanol 3.09
    2-hexanone 16.12
    octyl acetate 10.22
    limonene 4.5
    1,2-dimethoxyethane 38.71
    ethyl orthosilicate 9.67
    tributyl phosphate 10.23
    diacetone alcohol 29.32
    N,N-dimethylaniline 9.17
    acrylonitrile 39.21
    aniline 21.53
    1,3-propanediol 14.47
    bromobenzene 24.69
    dibromomethane 24.77
    1,1,2,2-tetrachloroethane 52.88
    2-methyl-cyclohexyl acetate 15.99
    tetrabutyl urea 15.41
    diisobutyl methanol 3.75
    2-phenylethanol 22.79
    styrene 5.98
    dioctyl adipate 14.48
    dimethyl sulfate 46.52
    ethyl butyrate 13.36
    methyl lactate 23.81
    butyl lactate 16.29
    diethyl carbonate 11.7
    propanediol butyl ether 14.07
    triethyl orthoformate 11.92
    p-tert-butyltoluene 3.88
    methyl 4-tert-butylbenzoate 25.84
    morpholine 35.8
    tert-butylamine 1.87
    n-dodecanol 2.93
    dimethoxymethane 55.17
    ethylene carbonate 43.95
    cyrene 37.42
    2-ethoxyethyl acetate 24.84
    2-ethylhexyl acetate 13.69
    1,2,4-trichlorobenzene 29.59
    4-methylpyridine 45.17
    dibutyl ether 3.84
    2,6-dimethyl-4-heptanol 3.75
    DEF 27.11
    dimethyl isosorbide 45.77
    tetrachloroethylene 37.01
    eugenol 29.01
    triacetin 25.53
    span 80 17.6
    1,4-butanediol 5.52
    1,1-dichloroethane 21.45
    2-methyl-1-pentanol 4.97
    methyl formate 32.56
    2-methyl-1-butanol 4.87
    n-decane 0.31
    butyronitrile 16.69
    3,7-dimethyl-1-octanol 5.28
    1-chlorooctane 1.89
    1-chlorotetradecane 1.12
    n-nonane 0.2
    undecane 0.25
    tert-butylcyclohexane 0.23
    cyclooctane 0.22
    cyclopentanol 8.36
    tetrahydropyran 19.3
    tert-amyl methyl ether 2.88
    2,5,8-trioxanonane 42.95
    1-hexene 0.52
    2-isopropoxyethanol 15.06
    2,2,2-trifluoroethanol 24.09
    methyl butyrate 19.59

    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