Kuwanol C

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  • Identifiers

    CAS number
    123702-94-3

    Molecular formula
    C25H26O6

    SMILES
    CC(=CCCC1(C=CC2=C(C3=C(C=C2O1)OC(CC3=O)C4=C(C=C(C=C4)O)O)O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 42.39%
    Sweet 40.4%
    Phenolic 32.65%
    Odorless 28.54%
    Balsamic 25.59%
    Woody 25.1%
    Fruity 24.71%
    Herbal 21.67%
    Vanilla 21.53%
    Powdery 20.57%

     

    Flavor
    Bitter 88.01%
    Cedarleaf 20.42%
    Lovage 20.32%
    Parsley 19.7%
    Ripe apricot 18.58%
    Basil 18.4%
    Red fruit 18.39%
    Heather 17.98%
    Bland 17.94%
    Leaves 17.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    10.33 (weak base)

    Molecular weight
    422.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1055°C

    Flash point

    • 261.2 ˚C est.

  • Synonyms

    • Kuwanol C
    • 8-(2,4-dihydroxyphenyl)-5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
    • 8-(2,4-dihydroxyphenyl)-5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydropyrano(3,2-g)chromen-6-one
    • RefChem:151570
    • 123702-94-3
    • SCHEMBL27006401
    • CHEBI:175384
    • YEA70294
    • LMPK12140516
    • 123702-94-3

  • Applications

    Kuwanol C (CAS 123702-94-3) is a natural product primarily used as a synthetic intermediate for complex organic synthesis and as part of natural product–derived libraries for pharmaceutical and agrochemical research. It is evaluated for potential biological activity and is commonly used as a reference standard for analytical method development and compound characterization in laboratories (e.g., LC-MS, GC). Additionally, Kuwanol C can serve as a research reagent in pharmaceutical chemistry and related synthesis optimization programs.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.97
    methanol 23.34
    isopropanol 3.98
    water 0.05
    ethyl acetate 24.35
    n-propanol 7.74
    acetone 53.69
    n-butanol 4.44
    acetonitrile 20.23
    DMF 218.81
    toluene 2.68
    isobutanol 4.8
    1,4-dioxane 70.65
    methyl acetate 38.98
    THF 120.93
    2-butanone 34.8
    n-pentanol 5.22
    sec-butanol 3.28
    n-hexane 0.07
    ethylene glycol 11.4
    NMP 169.15
    cyclohexane 0.14
    DMSO 263.5
    n-butyl acetate 13.67
    n-octanol 4.47
    chloroform 23.22
    n-propyl acetate 20.41
    acetic acid 90.85
    dichloromethane 21.1
    cyclohexanone 44.83
    propylene glycol 21.72
    isopropyl acetate 14.41
    DMAc 255.13
    2-ethoxyethanol 56.43
    isopentanol 4.2
    n-heptane 0.11
    ethyl formate 23.92
    1,2-dichloroethane 14.73
    n-hexanol 2.76
    2-methoxyethanol 112.93
    isobutyl acetate 13.6
    tetrachloromethane 1.39
    n-pentyl acetate 14.08
    transcutol 307.38
    n-heptanol 3.61
    ethylbenzene 1.15
    MIBK 12.55
    2-propoxyethanol 69.79
    tert-butanol 6.65
    MTBE 4.27
    2-butoxyethanol 32.94
    propionic acid 32.01
    o-xylene 1.55
    formic acid 46.71
    diethyl ether 4.38
    m-xylene 1.96
    p-xylene 2.07
    chlorobenzene 6.25
    dimethyl carbonate 54.37
    n-octane 0.07
    formamide 69.13
    cyclopentanone 103.6
    2-pentanone 18.47
    anisole 11.98
    cyclopentyl methyl ether 14.23
    gamma-butyrolactone 174.9
    1-methoxy-2-propanol 76.71
    pyridine 34.07
    3-pentanone 17.27
    furfural 104.17
    n-dodecane 0.13
    diethylene glycol 77.81
    diisopropyl ether 1.22
    tert-amyl alcohol 4.15
    acetylacetone 70.13
    n-hexadecane 0.16
    acetophenone 21.74
    methyl propionate 42.84
    isopentyl acetate 14.21
    trichloroethylene 54.72
    n-nonanol 5.03
    cyclohexanol 4.2
    benzyl alcohol 13.87
    2-ethylhexanol 2.51
    isooctanol 3.54
    dipropyl ether 5.43
    1,2-dichlorobenzene 6.93
    ethyl lactate 25.8
    propylene carbonate 51.89
    n-methylformamide 101.14
    2-pentanol 2.13
    n-pentane 0.07
    1-propoxy-2-propanol 45.84
    1-methoxy-2-propyl acetate 50.53
    2-(2-methoxypropoxy) propanol 59.74
    mesitylene 1.2
    ε-caprolactone 50.45
    p-cymene 1.45
    epichlorohydrin 150.89
    1,1,1-trichloroethane 10.41
    2-aminoethanol 20.12
    morpholine-4-carbaldehyde 211.04
    sulfolane 249.06
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 20.59
    n-hexyl acetate 19.2
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 82.62
    sec-butyl acetate 10.35
    tert-butyl acetate 18.44
    decalin 0.13
    glycerin 64.05
    diglyme 151.06
    acrylic acid 50.17
    isopropyl myristate 7.44
    n-butyric acid 26.16
    acetyl acetate 29.69
    di(2-ethylhexyl) phthalate 13.66
    ethyl propionate 18.8
    nitromethane 277.49
    1,2-diethoxyethane 39.6
    benzonitrile 14.6
    trioctyl phosphate 8.2
    1-bromopropane 2.85
    gamma-valerolactone 249.49
    n-decanol 3.52
    triethyl phosphate 11.75
    4-methyl-2-pentanol 2.24
    propionitrile 14.58
    vinylene carbonate 58.51
    1,1,2-trichlorotrifluoroethane 138.17
    DMS 41.15
    cumene 0.93
    2-octanol 2.12
    2-hexanone 16.03
    octyl acetate 10.49
    limonene 1.68
    1,2-dimethoxyethane 91.88
    ethyl orthosilicate 10.27
    tributyl phosphate 11.4
    diacetone alcohol 36.95
    N,N-dimethylaniline 8.01
    acrylonitrile 34.01
    aniline 7.59
    1,3-propanediol 22.87
    bromobenzene 5.36
    dibromomethane 7.29
    1,1,2,2-tetrachloroethane 38.96
    2-methyl-cyclohexyl acetate 15.21
    tetrabutyl urea 17.12
    diisobutyl methanol 2.3
    2-phenylethanol 11.43
    styrene 1.66
    dioctyl adipate 19.6
    dimethyl sulfate 99.4
    ethyl butyrate 14.16
    methyl lactate 59.92
    butyl lactate 25.62
    diethyl carbonate 12.15
    propanediol butyl ether 48.16
    triethyl orthoformate 15.85
    p-tert-butyltoluene 1.49
    methyl 4-tert-butylbenzoate 28.25
    morpholine 72.18
    tert-butylamine 1.59
    n-dodecanol 2.49
    dimethoxymethane 122.91
    ethylene carbonate 44.16
    cyrene 66.32
    2-ethoxyethyl acetate 46.7
    2-ethylhexyl acetate 10.16
    1,2,4-trichlorobenzene 14.37
    4-methylpyridine 19.96
    dibutyl ether 6.26
    2,6-dimethyl-4-heptanol 2.3
    DEF 37.58
    dimethyl isosorbide 122.37
    tetrachloroethylene 16.27
    eugenol 32.43
    triacetin 55.14
    span 80 36.36
    1,4-butanediol 11.5
    1,1-dichloroethane 8.79
    2-methyl-1-pentanol 4.38
    methyl formate 96.25
    2-methyl-1-butanol 3.89
    n-decane 0.2
    butyronitrile 7.92
    3,7-dimethyl-1-octanol 4.73
    1-chlorooctane 1.47
    1-chlorotetradecane 0.71
    n-nonane 0.14
    undecane 0.16
    tert-butylcyclohexane 0.12
    cyclooctane 0.07
    cyclopentanol 8.51
    tetrahydropyran 15.68
    tert-amyl methyl ether 3.83
    2,5,8-trioxanonane 110.76
    1-hexene 0.41
    2-isopropoxyethanol 32.05
    2,2,2-trifluoroethanol 28.01
    methyl butyrate 23.9

    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