Dukunolide C

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  • Identifiers

    CAS number
    99343-74-5

    Molecular formula
    C28H28O11

    SMILES
    CC(=O)OC1C2=CCCC3(C2=C(C(=O)OC3C4=COC=C4)C5(C1(C(=O)C(C67C5(OC(=O)C6O7)C)(C)C)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 45.76%
    Sweet 33.2%
    Caramellic 23.39%
    Woody 23.17%
    Burnt 20.77%
    Nutty 19.49%
    Spicy 19.19%
    Lactonic 18.05%
    Powdery 17.55%
    Milky 16.92%

     

    Flavor
    Bitter 94.81%
    Bland 23.84%
    Sweet-like 21.03%
    Cedarleaf 20.69%
    Ripe apricot 19.63%
    Parsley 19.56%
    Red fruit 19.32%
    Odorless 18.78%
    Lovage 18.57%
    Fenugreek 18.51%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.5

    pKa est.
    5.18 (weak acid)

    Molecular weight
    540.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1526°C

    Melting point expt.

    • 217 - 218 °C

    Flash point

    • 175.45 ˚C est.

  • Synonyms

    • Dukunolide C
    • (+)-Dukunolide C
    • CHEBI:175982
    • DTXSID401317822
    • [18-(uran-3-yl)-2,11-dihydroxy-3,9,9,17-tetramethyl-5,10,20-trioxo-4,7,19-trioxahexacyclo[11.7.1.02,11.03,8.06,8.017,21]henicosa-1(21),13-dien-12-yl] acetate
    • 10-(Furan-3-yl)-5a,12b-dihydroxy-4,4,9a,12c-tetramethyl-2,5,12-trioxo-2,2a,4,5,5a,6,8,9a,10,12,12b,12c-dodecahydro-9H-oxireno[3',4']furo[3',2':7,8]anthra[1,9-cd]pyran-6-yl acetate
    • 99343-74-5
    • 99343-74-5

  • Applications

    Dukunolide C (CAS 99343-74-5) is a cyclic lactone with potential industrial applications, primarily as a fragrance intermediate and odorant for perfumery; it may be used as a scent component in cosmetics and personal care; it is evaluated for use as a fragrance additive in household products; it may participate in polymer and plastics formulations as a plasticizer or stabilizer; in coatings and inks, it can be considered for fragrance dosing or processing roles depending on the formulation and regulatory constraints; subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.7
    methanol 4.62
    isopropanol 1.74
    water 0.02
    ethyl acetate 15.11
    n-propanol 2.93
    acetone 24.51
    n-butanol 2.35
    acetonitrile 19.67
    DMF 48.78
    toluene 5.51
    isobutanol 1.96
    1,4-dioxane 25.64
    methyl acetate 22.36
    THF 48.87
    2-butanone 21.11
    n-pentanol 1.89
    sec-butanol 1.79
    n-hexane 0.1
    ethylene glycol 2.27
    NMP 120.36
    cyclohexane 0.31
    DMSO 55.43
    n-butyl acetate 6.63
    n-octanol 1.07
    chloroform 33.82
    n-propyl acetate 8.29
    acetic acid 40.14
    dichloromethane 29.45
    cyclohexanone 35.02
    propylene glycol 2.26
    isopropyl acetate 8.47
    DMAc 73.25
    2-ethoxyethanol 9.68
    isopentanol 2.04
    n-heptane 0.1
    ethyl formate 11.27
    1,2-dichloroethane 16.17
    n-hexanol 2.03
    2-methoxyethanol 18.13
    isobutyl acetate 4.39
    tetrachloromethane 3.12
    n-pentyl acetate 5.01
    transcutol 7.94
    n-heptanol 1.48
    ethylbenzene 1.89
    MIBK 6.55
    2-propoxyethanol 14.16
    tert-butanol 2.13
    MTBE 2.55
    2-butoxyethanol 7.51
    propionic acid 13.3
    o-xylene 2.89
    formic acid 17.67
    diethyl ether 3.88
    m-xylene 2.53
    p-xylene 2.56
    chlorobenzene 8.3
    dimethyl carbonate 20.92
    n-octane 0.05
    formamide 24.55
    cyclopentanone 61.2
    2-pentanone 12.51
    anisole 6.05
    cyclopentyl methyl ether 10.87
    gamma-butyrolactone 74.98
    1-methoxy-2-propanol 12.11
    pyridine 34.58
    3-pentanone 12.67
    furfural 53.6
    n-dodecane 0.05
    diethylene glycol 11.76
    diisopropyl ether 0.97
    tert-amyl alcohol 2.16
    acetylacetone 26.9
    n-hexadecane 0.06
    acetophenone 11.84
    methyl propionate 19.15
    isopentyl acetate 5.26
    trichloroethylene 52.73
    n-nonanol 1.26
    cyclohexanol 3.54
    benzyl alcohol 6.66
    2-ethylhexanol 1.31
    isooctanol 1.21
    dipropyl ether 2.1
    1,2-dichlorobenzene 7.86
    ethyl lactate 6.18
    propylene carbonate 26.11
    n-methylformamide 26.09
    2-pentanol 1.19
    n-pentane 0.1
    1-propoxy-2-propanol 7.08
    1-methoxy-2-propyl acetate 11.53
    2-(2-methoxypropoxy) propanol 6.87
    mesitylene 1.24
    ε-caprolactone 32.78
    p-cymene 1.17
    epichlorohydrin 59.93
    1,1,1-trichloroethane 14.22
    2-aminoethanol 3.63
    morpholine-4-carbaldehyde 66.48
    sulfolane 96.57
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 18.7
    n-hexyl acetate 5.26
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 7.19
    sec-butyl acetate 4.96
    tert-butyl acetate 7.15
    decalin 0.2
    glycerin 7.66
    diglyme 14.63
    acrylic acid 21.57
    isopropyl myristate 1.76
    n-butyric acid 13.96
    acetyl acetate 19.87
    di(2-ethylhexyl) phthalate 3.62
    ethyl propionate 8.89
    nitromethane 94.91
    1,2-diethoxyethane 3.62
    benzonitrile 11.59
    trioctyl phosphate 2.31
    1-bromopropane 4.47
    gamma-valerolactone 87.75
    n-decanol 0.82
    triethyl phosphate 3.77
    4-methyl-2-pentanol 0.98
    propionitrile 11.19
    vinylene carbonate 30.48
    1,1,2-trichlorotrifluoroethane 46.96
    DMS 10.1
    cumene 1.08
    2-octanol 0.79
    2-hexanone 8.77
    octyl acetate 2.89
    limonene 1.63
    1,2-dimethoxyethane 16.33
    ethyl orthosilicate 2.95
    tributyl phosphate 2.24
    diacetone alcohol 11.24
    N,N-dimethylaniline 3.94
    acrylonitrile 23.59
    aniline 7.93
    1,3-propanediol 5.54
    bromobenzene 7.9
    dibromomethane 14.09
    1,1,2,2-tetrachloroethane 29.22
    2-methyl-cyclohexyl acetate 5.74
    tetrabutyl urea 4.23
    diisobutyl methanol 0.68
    2-phenylethanol 7.12
    styrene 2.39
    dioctyl adipate 3.84
    dimethyl sulfate 39.55
    ethyl butyrate 5.43
    methyl lactate 15.52
    butyl lactate 4.54
    diethyl carbonate 4.61
    propanediol butyl ether 4.3
    triethyl orthoformate 4.06
    p-tert-butyltoluene 0.99
    methyl 4-tert-butylbenzoate 7.32
    morpholine 27.36
    tert-butylamine 0.76
    n-dodecanol 0.55
    dimethoxymethane 24.3
    ethylene carbonate 22.22
    cyrene 19.42
    2-ethoxyethyl acetate 9.92
    2-ethylhexyl acetate 4.42
    1,2,4-trichlorobenzene 13.23
    4-methylpyridine 21.91
    dibutyl ether 1.03
    2,6-dimethyl-4-heptanol 0.68
    DEF 18.9
    dimethyl isosorbide 14.83
    tetrachloroethylene 17.89
    eugenol 7.28
    triacetin 8.81
    span 80 6.13
    1,4-butanediol 2.42
    1,1-dichloroethane 12.1
    2-methyl-1-pentanol 1.94
    methyl formate 23.85
    2-methyl-1-butanol 2.14
    n-decane 0.09
    butyronitrile 7.67
    3,7-dimethyl-1-octanol 1.01
    1-chlorooctane 0.63
    1-chlorotetradecane 0.26
    n-nonane 0.06
    undecane 0.06
    tert-butylcyclohexane 0.12
    cyclooctane 0.12
    cyclopentanol 6.41
    tetrahydropyran 12.05
    tert-amyl methyl ether 2.61
    2,5,8-trioxanonane 11.05
    1-hexene 0.58
    2-isopropoxyethanol 5.96
    2,2,2-trifluoroethanol 18.27
    methyl butyrate 10.42

    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