Kuwanol D

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  • Identifiers

    CAS number
    123702-93-2

    Molecular formula
    C25H28O5

    SMILES
    CC(=CCC/C(=C/CC1=CC(=C(C=C1O)O)/C=C/C(=O)C2=C(C=C(C=C2)O)O)/C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 42.31%
    Spicy 42.29%
    Balsamic 32.31%
    Odorless 30.22%
    Sweet 30.19%
    Woody 29.36%
    Phenolic 26.31%
    Floral 24.8%
    Dry 22.45%
    Herbal 22.24%

     

    Flavor
    Bitter 84.27%
    Odorless 23.02%
    Lovage 20.06%
    Cedarleaf 19.91%
    Nitrile 19.85%
    Oriental 19.6%
    Parsley 19.43%
    Heather 19.16%
    Broom 19.15%
    Genet 18.9%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    11.03 (strong base)

    Molecular weight
    408.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    696°C

    Flash point

    • 255.2 ˚C est.

  • Synonyms

    • Kuwanol D
    • SCHEMBL29934453
    • DTXSID401109679
    • LMPK12120120
    • 123702-93-2
    • 5-Geranyl-2,2',4,4'-tetrahydroxychalcone
    • (2E)-1-(2,4-Dihydroxyphenyl)-3-[5-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,4-dihydroxyphenyl]-2-propen-1-one
    • 123702-93-2

  • Applications

    Kuwanol D (CAS 123702-93-2) is primarily of interest in research and development as a natural product derived scaffold for organic synthesis and medicinal chemistry, with potential applications as an intermediate in chemical synthesis and as a lead framework for pharmaceutical discovery; in materials contexts it is evaluated for functional roles in coatings and inks and as a potential additive for polymers and plastics; in cosmetics and personal care research it is explored for potential inclusion in formulations as a natural origin ingredient; and it may also be investigated as a fragrance or odorant component in fragrance development, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.68
    methanol 25.73
    isopropanol 6.88
    water 0.01
    ethyl acetate 7.58
    n-propanol 14.1
    acetone 28.02
    n-butanol 8.55
    acetonitrile 3.37
    DMF 49.89
    toluene 1.21
    isobutanol 4.91
    1,4-dioxane 30.33
    methyl acetate 11.12
    THF 188.73
    2-butanone 27.42
    n-pentanol 7.66
    sec-butanol 8.27
    n-hexane 0.07
    ethylene glycol 2.0
    NMP 26.57
    cyclohexane 0.07
    DMSO 143.94
    n-butyl acetate 3.54
    n-octanol 3.0
    chloroform 3.34
    n-propyl acetate 4.94
    acetic acid 22.85
    dichloromethane 2.27
    cyclohexanone 18.38
    propylene glycol 15.13
    isopropyl acetate 5.35
    DMAc 95.46
    2-ethoxyethanol 44.44
    isopentanol 5.27
    n-heptane 0.08
    ethyl formate 5.25
    1,2-dichloroethane 2.6
    n-hexanol 3.81
    2-methoxyethanol 96.84
    isobutyl acetate 3.02
    tetrachloromethane 0.34
    n-pentyl acetate 4.8
    transcutol 156.01
    n-heptanol 3.4
    ethylbenzene 0.67
    MIBK 7.36
    2-propoxyethanol 49.39
    tert-butanol 10.3
    MTBE 6.79
    2-butoxyethanol 21.76
    propionic acid 10.77
    o-xylene 0.71
    formic acid 8.61
    diethyl ether 4.55
    m-xylene 0.78
    p-xylene 0.85
    chlorobenzene 1.08
    dimethyl carbonate 6.55
    n-octane 0.06
    formamide 19.57
    cyclopentanone 44.36
    2-pentanone 13.7
    anisole 6.18
    cyclopentyl methyl ether 9.2
    gamma-butyrolactone 35.9
    1-methoxy-2-propanol 79.58
    pyridine 12.79
    3-pentanone 7.93
    furfural 20.01
    n-dodecane 0.05
    diethylene glycol 22.55
    diisopropyl ether 0.73
    tert-amyl alcohol 10.64
    acetylacetone 24.72
    n-hexadecane 0.06
    acetophenone 6.58
    methyl propionate 11.27
    isopentyl acetate 4.48
    trichloroethylene 7.8
    n-nonanol 3.35
    cyclohexanol 3.5
    benzyl alcohol 6.2
    2-ethylhexanol 1.89
    isooctanol 2.85
    dipropyl ether 3.92
    1,2-dichlorobenzene 1.11
    ethyl lactate 6.99
    propylene carbonate 8.33
    n-methylformamide 20.47
    2-pentanol 3.73
    n-pentane 0.06
    1-propoxy-2-propanol 30.55
    1-methoxy-2-propyl acetate 17.92
    2-(2-methoxypropoxy) propanol 29.2
    mesitylene 0.45
    ε-caprolactone 15.35
    p-cymene 0.5
    epichlorohydrin 53.97
    1,1,1-trichloroethane 1.78
    2-aminoethanol 11.03
    morpholine-4-carbaldehyde 47.2
    sulfolane 66.7
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 21.5
    n-hexyl acetate 7.2
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 43.8
    sec-butyl acetate 3.44
    tert-butyl acetate 10.33
    decalin 0.06
    glycerin 21.33
    diglyme 72.52
    acrylic acid 9.99
    isopropyl myristate 2.8
    n-butyric acid 12.61
    acetyl acetate 4.86
    di(2-ethylhexyl) phthalate 3.95
    ethyl propionate 5.23
    nitromethane 46.33
    1,2-diethoxyethane 18.95
    benzonitrile 2.49
    trioctyl phosphate 2.45
    1-bromopropane 1.02
    gamma-valerolactone 86.65
    n-decanol 2.17
    triethyl phosphate 3.2
    4-methyl-2-pentanol 2.42
    propionitrile 3.81
    vinylene carbonate 6.72
    1,1,2-trichlorotrifluoroethane 37.32
    DMS 6.53
    cumene 0.5
    2-octanol 1.96
    2-hexanone 8.95
    octyl acetate 3.93
    limonene 0.68
    1,2-dimethoxyethane 62.05
    ethyl orthosilicate 3.34
    tributyl phosphate 2.9
    diacetone alcohol 29.2
    N,N-dimethylaniline 3.58
    acrylonitrile 5.72
    aniline 3.38
    1,3-propanediol 18.91
    bromobenzene 0.85
    dibromomethane 1.11
    1,1,2,2-tetrachloroethane 7.64
    2-methyl-cyclohexyl acetate 4.66
    tetrabutyl urea 4.81
    diisobutyl methanol 1.62
    2-phenylethanol 5.44
    styrene 0.78
    dioctyl adipate 6.01
    dimethyl sulfate 14.61
    ethyl butyrate 3.92
    methyl lactate 15.88
    butyl lactate 8.72
    diethyl carbonate 2.49
    propanediol butyl ether 23.42
    triethyl orthoformate 5.55
    p-tert-butyltoluene 0.62
    methyl 4-tert-butylbenzoate 11.89
    morpholine 57.96
    tert-butylamine 2.18
    n-dodecanol 1.36
    dimethoxymethane 54.18
    ethylene carbonate 5.05
    cyrene 24.45
    2-ethoxyethyl acetate 13.5
    2-ethylhexyl acetate 2.75
    1,2,4-trichlorobenzene 2.1
    4-methylpyridine 6.71
    dibutyl ether 3.53
    2,6-dimethyl-4-heptanol 1.62
    DEF 13.95
    dimethyl isosorbide 50.33
    tetrachloroethylene 3.45
    eugenol 13.43
    triacetin 13.72
    span 80 19.13
    1,4-butanediol 5.08
    1,1-dichloroethane 1.65
    2-methyl-1-pentanol 5.43
    methyl formate 13.02
    2-methyl-1-butanol 5.45
    n-decane 0.1
    butyronitrile 3.56
    3,7-dimethyl-1-octanol 3.06
    1-chlorooctane 0.67
    1-chlorotetradecane 0.25
    n-nonane 0.08
    undecane 0.07
    tert-butylcyclohexane 0.08
    cyclooctane 0.03
    cyclopentanol 6.97
    tetrahydropyran 14.81
    tert-amyl methyl ether 5.74
    2,5,8-trioxanonane 49.31
    1-hexene 0.51
    2-isopropoxyethanol 21.21
    2,2,2-trifluoroethanol 3.54
    methyl butyrate 6.94

    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