Dukunolide B

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  • Identifiers

    CAS number
    99343-73-4

    Molecular formula
    C26H26O10

    SMILES
    CC1(C(=O)C2(CC34C(O3)CCC5(C4=C(C2(C6(C17C(O7)C(=O)O6)C)O)C(=O)OC5C8=COC=C8)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 43.46%
    Sweet 39.41%
    Woody 28.24%
    Caramellic 21.92%
    Burnt 21.72%
    Spicy 20.72%
    Nutty 19.58%
    Tobacco 18.2%
    Powdery 18.04%
    Lactonic 17.09%

     

    Flavor
    Bitter 95.75%
    Bland 22.2%
    Sweet-like 20.78%
    Cedarleaf 20.6%
    Ripe apricot 18.81%
    Parsley 18.73%
    Red fruit 18.6%
    Cereal 18.02%
    Lovage 18.01%
    Fenugreek 17.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.7

    pKa est.
    6.47 (neutral)

    Molecular weight
    498.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    1260°C

    Melting point expt.

    • 248.5 - 251 °C

    Flash point

    • 155.56 ˚C est.

  • Synonyms

    • Dukunolide B
    • 99343-73-4
    • 16-(furan-3-yl)-3,12-dihydroxy-5,5,11,17-tetramethyl-7,10,15,21-tetraoxaheptacyclo(11.8.1.01,20.03,12.06,8.06,11.017,22)docos-13(22)-ene-4,9,14-trione
    • 16-(furan-3-yl)-3,12-dihydroxy-5,5,11,17-tetramethyl-7,10,15,21-tetraoxaheptacyclo[11.8.1.01,20.03,12.06,8.06,11.017,22]docos-13(22)-ene-4,9,14-trione
    • RefChem:135962
    • SCHEMBL29934841
    • CHEBI:179871
    • DTXSID401317989
    • 10-(Furan-3-yl)-5a,12b-dihydroxy-4,4,9a,12c-tetramethyl-5a,6,9,9a,12b,12c-hexahydro-7aH,10H-oxireno[4,4a]oxireno[3',4']furo[3',2':7,8]anthra[1,9-cd]pyran-2,5,12(2aH,4H,8H)-trione
    • 16-(uran-3-yl)-3,12-dihydroxy-5,5,11,17-tetramethyl-7,10,15,21-tetraoxaheptacyclo[11.8.1.01,20.03,12.06,8.06,11.017,22]docos-13(22)-ene-4,9,14-trione
    • 99343-73-4

  • Applications

    Dukunolide B (CAS 99343-73-4) is used as an odorant and fragrance intermediate for perfumery and cosmetics/personal care, where it can function as a fixative and contribute to scent longevity. It is also employed as a solvent or processing aid in industrial manufacturing, and can act as a stabilizer or plasticizer in polymer formulations. In coatings and inks, it serves as a compatible solvent or functional additive to influence film formation and rheology, while in household products it may be used as a fragrance ingredient or solvent component.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.84
    methanol 2.2
    isopropanol 0.41
    water 0.02
    ethyl acetate 6.62
    n-propanol 0.73
    acetone 13.44
    n-butanol 0.55
    acetonitrile 16.21
    DMF 34.6
    toluene 2.12
    isobutanol 0.47
    1,4-dioxane 12.4
    methyl acetate 10.67
    THF 22.99
    2-butanone 7.96
    n-pentanol 0.48
    sec-butanol 0.34
    n-hexane 0.03
    ethylene glycol 1.33
    NMP 74.77
    cyclohexane 0.09
    DMSO 39.27
    n-butyl acetate 2.95
    n-octanol 0.43
    chloroform 18.54
    n-propyl acetate 3.87
    acetic acid 22.0
    dichloromethane 16.87
    cyclohexanone 15.67
    propylene glycol 0.78
    isopropyl acetate 3.83
    DMAc 42.16
    2-ethoxyethanol 4.02
    isopentanol 0.53
    n-heptane 0.03
    ethyl formate 5.57
    1,2-dichloroethane 8.39
    n-hexanol 0.62
    2-methoxyethanol 8.09
    isobutyl acetate 2.11
    tetrachloromethane 1.43
    n-pentyl acetate 2.4
    transcutol 4.14
    n-heptanol 0.6
    ethylbenzene 0.68
    MIBK 3.01
    2-propoxyethanol 7.02
    tert-butanol 0.6
    MTBE 0.76
    2-butoxyethanol 3.61
    propionic acid 5.49
    o-xylene 1.16
    formic acid 12.59
    diethyl ether 1.2
    m-xylene 1.12
    p-xylene 1.07
    chlorobenzene 4.21
    dimethyl carbonate 14.45
    n-octane 0.02
    formamide 19.19
    cyclopentanone 33.88
    2-pentanone 4.7
    anisole 2.87
    cyclopentyl methyl ether 4.24
    gamma-butyrolactone 45.53
    1-methoxy-2-propanol 4.66
    pyridine 18.34
    3-pentanone 5.03
    furfural 34.71
    n-dodecane 0.02
    diethylene glycol 7.46
    diisopropyl ether 0.35
    tert-amyl alcohol 0.51
    acetylacetone 16.3
    n-hexadecane 0.03
    acetophenone 6.12
    methyl propionate 8.77
    isopentyl acetate 2.51
    trichloroethylene 30.92
    n-nonanol 0.55
    cyclohexanol 0.9
    benzyl alcohol 2.96
    2-ethylhexanol 0.47
    isooctanol 0.53
    dipropyl ether 0.83
    1,2-dichlorobenzene 4.44
    ethyl lactate 3.34
    propylene carbonate 14.96
    n-methylformamide 16.32
    2-pentanol 0.26
    n-pentane 0.03
    1-propoxy-2-propanol 3.15
    1-methoxy-2-propyl acetate 6.44
    2-(2-methoxypropoxy) propanol 3.82
    mesitylene 0.58
    ε-caprolactone 13.83
    p-cymene 0.57
    epichlorohydrin 32.59
    1,1,1-trichloroethane 7.44
    2-aminoethanol 1.53
    morpholine-4-carbaldehyde 42.9
    sulfolane 61.94
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 6.29
    n-hexyl acetate 2.46
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 3.73
    sec-butyl acetate 2.07
    tert-butyl acetate 3.61
    decalin 0.06
    glycerin 3.81
    diglyme 8.71
    acrylic acid 12.03
    isopropyl myristate 0.86
    n-butyric acid 5.3
    acetyl acetate 12.51
    di(2-ethylhexyl) phthalate 1.98
    ethyl propionate 3.95
    nitromethane 78.07
    1,2-diethoxyethane 1.71
    benzonitrile 6.96
    trioctyl phosphate 1.17
    1-bromopropane 1.38
    gamma-valerolactone 54.79
    n-decanol 0.36
    triethyl phosphate 2.03
    4-methyl-2-pentanol 0.3
    propionitrile 5.84
    vinylene carbonate 20.2
    1,1,2-trichlorotrifluoroethane 29.88
    DMS 6.05
    cumene 0.42
    2-octanol 0.29
    2-hexanone 3.4
    octyl acetate 1.39
    limonene 0.69
    1,2-dimethoxyethane 8.32
    ethyl orthosilicate 1.52
    tributyl phosphate 1.18
    diacetone alcohol 5.44
    N,N-dimethylaniline 1.89
    acrylonitrile 16.77
    aniline 3.19
    1,3-propanediol 2.1
    bromobenzene 4.26
    dibromomethane 6.97
    1,1,2,2-tetrachloroethane 14.66
    2-methyl-cyclohexyl acetate 3.04
    tetrabutyl urea 2.25
    diisobutyl methanol 0.31
    2-phenylethanol 3.78
    styrene 0.97
    dioctyl adipate 2.04
    dimethyl sulfate 28.03
    ethyl butyrate 2.53
    methyl lactate 8.4
    butyl lactate 2.23
    diethyl carbonate 2.5
    propanediol butyl ether 1.99
    triethyl orthoformate 1.98
    p-tert-butyltoluene 0.48
    methyl 4-tert-butylbenzoate 4.48
    morpholine 11.16
    tert-butylamine 0.2
    n-dodecanol 0.24
    dimethoxymethane 14.19
    ethylene carbonate 13.56
    cyrene 11.38
    2-ethoxyethyl acetate 5.1
    2-ethylhexyl acetate 2.07
    1,2,4-trichlorobenzene 7.36
    4-methylpyridine 10.55
    dibutyl ether 0.42
    2,6-dimethyl-4-heptanol 0.31
    DEF 8.11
    dimethyl isosorbide 9.9
    tetrachloroethylene 9.71
    eugenol 4.61
    triacetin 5.4
    span 80 3.1
    1,4-butanediol 0.95
    1,1-dichloroethane 5.22
    2-methyl-1-pentanol 0.51
    methyl formate 16.23
    2-methyl-1-butanol 0.48
    n-decane 0.04
    butyronitrile 3.12
    3,7-dimethyl-1-octanol 0.44
    1-chlorooctane 0.26
    1-chlorotetradecane 0.11
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.04
    cyclooctane 0.04
    cyclopentanol 1.84
    tetrahydropyran 4.01
    tert-amyl methyl ether 0.76
    2,5,8-trioxanonane 6.67
    1-hexene 0.15
    2-isopropoxyethanol 2.45
    2,2,2-trifluoroethanol 12.46
    methyl butyrate 4.74

    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