Dukunolide D

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  • Identifiers

    CAS number
    101560-02-5

    Molecular formula
    C26H28O8

    SMILES
    C[C@@]12CCC=C3C1=C(C(=O)O[C@H]2C4=COC=C4)[C@]5([C@@]6([C@@H](CC(=O)O6)C(C(=O)[C@]5(C3)O)(C)C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 43.83%
    Woody 36.12%
    Odorless 33.38%
    Spicy 30.05%
    Tobacco 25.53%
    Powdery 21.79%
    Mint 21.48%
    Lactonic 21.12%
    Coumarinic 20.37%
    Phenolic 20.09%

     

    Flavor
    Bitter 94.16%
    Cedarleaf 21.17%
    Bland 20.35%
    Sweet-like 20.25%
    Ripe apricot 20.17%
    Red fruit 19.97%
    Parsley 19.64%
    Lovage 19.4%
    Fenugreek 18.86%
    Seedy 18.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    5.34 (weak acid)

    Molecular weight
    468.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2065°C

    Flash point

    • 247.86 ˚C est.

  • Synonyms

    • Dukunolide D
    • 101560-02-5
    • 17-(furan-3-yl)-2,10-dihydroxy-3,8,8,16-tetramethyl-4,18-dioxapentacyclo(10.7.1.02,10.03,7.016,20)icosa-1(20),12-diene-5,9,19-trione
    • 17-(furan-3-yl)-2,10-dihydroxy-3,8,8,16-tetramethyl-4,18-dioxapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(20),12-diene-5,9,19-trione
    • RefChem:135963
    • DTXSID401318032
    • (3aS,5aR,9aR,10R,12bS,12cS)-10-(Furan-3-yl)-5a,12b-dihydroxy-4,4,9a,12c-tetramethyl-3a,5a,6,8,9a,10,12b,12c-octahydro-2H,9H-furo[3',2':7,8]anthra[1,9-cd]pyran-2,5,12(3H,4H)-trione
    • 101560-02-5

  • Applications

    Dukunolide D (CAS 101560-02-5) is commonly considered a fragrance ingredient and may be used as an odorant or fragrance fixative in perfumery; it may also be used in cosmetics and personal care as a scented ingredient; in household products, it can act as a fragrance additive or odor-masking component; in coatings, inks, and related industrial sectors, it may serve as a processing aid or minor solvent; in polymers/plastics manufacturing it could function as a chemical intermediate or processing additive. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.53
    methanol 8.96
    isopropanol 3.07
    water 0.03
    ethyl acetate 12.5
    n-propanol 5.19
    acetone 32.91
    n-butanol 4.1
    acetonitrile 21.26
    DMF 100.63
    toluene 8.21
    isobutanol 3.62
    1,4-dioxane 37.56
    methyl acetate 19.32
    THF 86.04
    2-butanone 23.19
    n-pentanol 3.43
    sec-butanol 2.29
    n-hexane 0.13
    ethylene glycol 3.4
    NMP 148.46
    cyclohexane 0.35
    DMSO 83.78
    n-butyl acetate 7.2
    n-octanol 1.52
    chloroform 44.82
    n-propyl acetate 8.51
    acetic acid 41.15
    dichloromethane 33.08
    cyclohexanone 50.94
    propylene glycol 2.71
    isopropyl acetate 8.52
    DMAc 95.39
    2-ethoxyethanol 13.79
    isopentanol 3.65
    n-heptane 0.1
    ethyl formate 12.38
    1,2-dichloroethane 19.69
    n-hexanol 3.66
    2-methoxyethanol 29.31
    isobutyl acetate 5.77
    tetrachloromethane 4.11
    n-pentyl acetate 6.42
    transcutol 9.22
    n-heptanol 2.58
    ethylbenzene 2.7
    MIBK 9.54
    2-propoxyethanol 23.74
    tert-butanol 3.3
    MTBE 2.46
    2-butoxyethanol 11.36
    propionic acid 12.68
    o-xylene 4.01
    formic acid 19.12
    diethyl ether 4.46
    m-xylene 4.09
    p-xylene 3.89
    chlorobenzene 11.86
    dimethyl carbonate 23.63
    n-octane 0.06
    formamide 27.96
    cyclopentanone 89.96
    2-pentanone 16.07
    anisole 7.14
    cyclopentyl methyl ether 15.18
    gamma-butyrolactone 94.8
    1-methoxy-2-propanol 19.22
    pyridine 44.76
    3-pentanone 13.46
    furfural 61.42
    n-dodecane 0.06
    diethylene glycol 21.07
    diisopropyl ether 0.98
    tert-amyl alcohol 2.46
    acetylacetone 28.48
    n-hexadecane 0.08
    acetophenone 13.69
    methyl propionate 20.07
    isopentyl acetate 6.64
    trichloroethylene 60.45
    n-nonanol 1.85
    cyclohexanol 5.08
    benzyl alcohol 10.77
    2-ethylhexanol 2.0
    isooctanol 2.21
    dipropyl ether 2.52
    1,2-dichlorobenzene 10.55
    ethyl lactate 7.65
    propylene carbonate 28.59
    n-methylformamide 40.18
    2-pentanol 1.63
    n-pentane 0.12
    1-propoxy-2-propanol 10.45
    1-methoxy-2-propyl acetate 13.84
    2-(2-methoxypropoxy) propanol 8.74
    mesitylene 1.96
    ε-caprolactone 35.72
    p-cymene 1.66
    epichlorohydrin 77.98
    1,1,1-trichloroethane 16.2
    2-aminoethanol 5.54
    morpholine-4-carbaldehyde 94.0
    sulfolane 119.15
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 22.17
    n-hexyl acetate 6.25
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 9.07
    sec-butyl acetate 4.87
    tert-butyl acetate 7.56
    decalin 0.23
    glycerin 10.03
    diglyme 19.01
    acrylic acid 21.39
    isopropyl myristate 2.18
    n-butyric acid 15.79
    acetyl acetate 15.07
    di(2-ethylhexyl) phthalate 5.09
    ethyl propionate 8.32
    nitromethane 89.24
    1,2-diethoxyethane 4.3
    benzonitrile 16.75
    trioctyl phosphate 3.27
    1-bromopropane 5.47
    gamma-valerolactone 119.32
    n-decanol 1.17
    triethyl phosphate 4.12
    4-methyl-2-pentanol 1.54
    propionitrile 14.34
    vinylene carbonate 34.51
    1,1,2-trichlorotrifluoroethane 53.04
    DMS 11.44
    cumene 1.6
    2-octanol 1.25
    2-hexanone 10.7
    octyl acetate 3.34
    limonene 2.03
    1,2-dimethoxyethane 24.07
    ethyl orthosilicate 3.38
    tributyl phosphate 3.03
    diacetone alcohol 14.03
    N,N-dimethylaniline 5.54
    acrylonitrile 30.05
    aniline 11.7
    1,3-propanediol 9.61
    bromobenzene 11.25
    dibromomethane 17.03
    1,1,2,2-tetrachloroethane 36.41
    2-methyl-cyclohexyl acetate 6.9
    tetrabutyl urea 5.86
    diisobutyl methanol 1.17
    2-phenylethanol 11.53
    styrene 3.46
    dioctyl adipate 4.7
    dimethyl sulfate 42.75
    ethyl butyrate 5.36
    methyl lactate 18.19
    butyl lactate 6.23
    diethyl carbonate 4.44
    propanediol butyl ether 6.49
    triethyl orthoformate 4.26
    p-tert-butyltoluene 1.5
    methyl 4-tert-butylbenzoate 10.5
    morpholine 41.29
    tert-butylamine 1.1
    n-dodecanol 0.76
    dimethoxymethane 42.95
    ethylene carbonate 26.57
    cyrene 24.85
    2-ethoxyethyl acetate 10.96
    2-ethylhexyl acetate 5.41
    1,2,4-trichlorobenzene 15.85
    4-methylpyridine 32.55
    dibutyl ether 1.24
    2,6-dimethyl-4-heptanol 1.17
    DEF 23.04
    dimethyl isosorbide 20.41
    tetrachloroethylene 23.07
    eugenol 10.95
    triacetin 9.43
    span 80 8.25
    1,4-butanediol 4.26
    1,1-dichloroethane 14.38
    2-methyl-1-pentanol 3.01
    methyl formate 35.6
    2-methyl-1-butanol 3.37
    n-decane 0.11
    butyronitrile 10.1
    3,7-dimethyl-1-octanol 1.56
    1-chlorooctane 0.78
    1-chlorotetradecane 0.31
    n-nonane 0.08
    undecane 0.08
    tert-butylcyclohexane 0.15
    cyclooctane 0.13
    cyclopentanol 10.09
    tetrahydropyran 17.51
    tert-amyl methyl ether 2.4
    2,5,8-trioxanonane 14.03
    1-hexene 0.76
    2-isopropoxyethanol 8.4
    2,2,2-trifluoroethanol 18.16
    methyl butyrate 10.93

    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