Kievitone

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  • Identifiers

    CAS number
    40105-60-0

    Molecular formula
    C20H20O6

    SMILES
    CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(CO2)C3=C(C=C(C=C3)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 52.83%
    Spicy 42.3%
    Odorless 40.32%
    Woody 27.81%
    Smoky 26.96%
    Sweet 25.56%
    Medicinal 24.99%
    Burnt 24.56%
    Balsamic 23.74%
    Dry 20.46%

     

    Flavor
    Bitter 93.3%
    Odorless 21.1%
    Bland 21.01%
    Cedarleaf 20.71%
    Lovage 20.09%
    Parsley 19.62%
    Sweet-like 19.03%
    Nitrile 18.55%
    Ripe apricot 18.48%
    Basil 18.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    10.19 (weak base)

    Molecular weight
    356.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1195°C

    Flash point

    • 255.61 ˚C est.

  • Synonyms

    • Kievitone
    • 40105-60-0
    • 96V5H76C4P
    • CHEBI:16832
    • 3-(2,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
    • 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
    • RefChem:924155
    • GlyTouCan:G35070DA
    • G35070DA
    • 3-(2,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
    • 4H-1-Benzopyran-4-one,3-(2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-(3-methyl-2-butenyl)-
    • 4H-1-Benzopyran-4-one, 3-(2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-(3-methyl-2-butenyl)-
    • Vignatin
    • UNII-96V5H76C4P
    • 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one
    • Phaseolus substance II
    • Flavanone + 4O, 1Prenyl
    • SCHEMBL571650
    • orb1983389
    • KIEVITONE, (+/-)-
    • DTXSID60960555
    • LMPK12050479
    • DA-54633
    • FK137881
    • HY-123351
    • CS-0082546
    • C01590
    • Q27102101
    • 3-(2,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CI
    • 3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one
    • 4H-1-BENZOPYRAN-4-ONE, 3-(2,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-5,7-DIHYDROXY-8-(3-METHYL-2-BUTEN-1-YL)-
    • 40105-60-0

  • Applications

    Kievitone (CAS 40105-60-0) is used primarily as an intermediate in organic synthesis and as a solvent or processing aid in a range of industrial formulations. In fragrance-related applications, it may function as an odorant or fragrance fixative for perfumery and cosmetics, while in coatings and inks it can serve as a solvent or processing additive to aid formulation and dispersion. It may also appear as a component or processing aid in polymers and plastics, and as a solvent carrier in cleaning and household products. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.94
    methanol 49.46
    isopropanol 42.42
    water 0.02
    ethyl acetate 44.02
    n-propanol 37.59
    acetone 204.49
    n-butanol 31.12
    acetonitrile 47.01
    DMF 353.06
    toluene 2.81
    isobutanol 25.75
    1,4-dioxane 90.07
    methyl acetate 59.66
    THF 555.58
    2-butanone 124.21
    n-pentanol 20.71
    sec-butanol 28.78
    n-hexane 0.11
    ethylene glycol 12.36
    NMP 149.22
    cyclohexane 0.25
    DMSO 1101.23
    n-butyl acetate 16.72
    n-octanol 7.24
    chloroform 18.34
    n-propyl acetate 21.73
    acetic acid 73.77
    dichloromethane 10.75
    cyclohexanone 101.73
    propylene glycol 30.96
    isopropyl acetate 26.52
    DMAc 385.51
    2-ethoxyethanol 87.75
    isopentanol 26.9
    n-heptane 0.15
    ethyl formate 33.14
    1,2-dichloroethane 16.64
    n-hexanol 11.27
    2-methoxyethanol 219.43
    isobutyl acetate 11.62
    tetrachloromethane 1.71
    n-pentyl acetate 11.21
    transcutol 106.63
    n-heptanol 7.74
    ethylbenzene 1.55
    MIBK 34.15
    2-propoxyethanol 86.52
    tert-butanol 58.15
    MTBE 15.27
    2-butoxyethanol 32.67
    propionic acid 34.25
    o-xylene 2.21
    formic acid 32.25
    diethyl ether 14.83
    m-xylene 2.39
    p-xylene 2.41
    chlorobenzene 3.97
    dimethyl carbonate 44.03
    n-octane 0.09
    formamide 67.29
    cyclopentanone 226.5
    2-pentanone 83.85
    anisole 12.81
    cyclopentyl methyl ether 38.09
    gamma-butyrolactone 169.97
    1-methoxy-2-propanol 174.55
    pyridine 37.09
    3-pentanone 42.62
    furfural 67.56
    n-dodecane 0.18
    diethylene glycol 80.23
    diisopropyl ether 2.98
    tert-amyl alcohol 31.18
    acetylacetone 108.26
    n-hexadecane 0.21
    acetophenone 18.92
    methyl propionate 60.79
    isopentyl acetate 16.27
    trichloroethylene 41.22
    n-nonanol 7.79
    cyclohexanol 21.98
    benzyl alcohol 17.33
    2-ethylhexanol 6.25
    isooctanol 6.96
    dipropyl ether 8.64
    1,2-dichlorobenzene 4.12
    ethyl lactate 25.25
    propylene carbonate 38.57
    n-methylformamide 124.93
    2-pentanol 16.61
    n-pentane 0.12
    1-propoxy-2-propanol 51.52
    1-methoxy-2-propyl acetate 40.26
    2-(2-methoxypropoxy) propanol 38.26
    mesitylene 1.52
    ε-caprolactone 57.86
    p-cymene 1.81
    epichlorohydrin 192.07
    1,1,1-trichloroethane 11.93
    2-aminoethanol 32.01
    morpholine-4-carbaldehyde 139.32
    sulfolane 286.02
    2,2,4-trimethylpentane 0.19
    2-methyltetrahydrofuran 77.18
    n-hexyl acetate 15.6
    isooctane 0.16
    2-(2-butoxyethoxy)ethanol 50.24
    sec-butyl acetate 13.02
    tert-butyl acetate 29.2
    decalin 0.19
    glycerin 62.73
    diglyme 94.88
    acrylic acid 31.02
    isopropyl myristate 6.85
    n-butyric acid 47.99
    acetyl acetate 22.84
    di(2-ethylhexyl) phthalate 9.5
    ethyl propionate 22.4
    nitromethane 236.56
    1,2-diethoxyethane 24.86
    benzonitrile 13.13
    trioctyl phosphate 7.86
    1-bromopropane 5.57
    gamma-valerolactone 227.6
    n-decanol 5.79
    triethyl phosphate 10.32
    4-methyl-2-pentanol 10.04
    propionitrile 37.54
    vinylene carbonate 30.35
    1,1,2-trichlorotrifluoroethane 113.46
    DMS 20.75
    cumene 1.22
    2-octanol 4.95
    2-hexanone 32.45
    octyl acetate 9.84
    limonene 2.72
    1,2-dimethoxyethane 136.03
    ethyl orthosilicate 9.01
    tributyl phosphate 9.22
    diacetone alcohol 75.61
    N,N-dimethylaniline 8.63
    acrylonitrile 54.01
    aniline 12.23
    1,3-propanediol 65.23
    bromobenzene 2.59
    dibromomethane 5.24
    1,1,2,2-tetrachloroethane 37.02
    2-methyl-cyclohexyl acetate 12.53
    tetrabutyl urea 15.57
    diisobutyl methanol 4.97
    2-phenylethanol 15.84
    styrene 1.74
    dioctyl adipate 12.9
    dimethyl sulfate 81.83
    ethyl butyrate 14.64
    methyl lactate 61.62
    butyl lactate 17.46
    diethyl carbonate 10.45
    propanediol butyl ether 30.51
    triethyl orthoformate 13.06
    p-tert-butyltoluene 1.83
    methyl 4-tert-butylbenzoate 20.31
    morpholine 149.98
    tert-butylamine 10.34
    n-dodecanol 4.13
    dimethoxymethane 209.19
    ethylene carbonate 29.23
    cyrene 44.45
    2-ethoxyethyl acetate 21.76
    2-ethylhexyl acetate 10.28
    1,2,4-trichlorobenzene 7.47
    4-methylpyridine 30.62
    dibutyl ether 6.69
    2,6-dimethyl-4-heptanol 4.97
    DEF 70.08
    dimethyl isosorbide 65.43
    tetrachloroethylene 15.91
    eugenol 22.19
    triacetin 22.81
    span 80 24.4
    1,4-butanediol 20.03
    1,1-dichloroethane 13.91
    2-methyl-1-pentanol 15.48
    methyl formate 89.1
    2-methyl-1-butanol 22.39
    n-decane 0.28
    butyronitrile 27.9
    3,7-dimethyl-1-octanol 7.65
    1-chlorooctane 1.92
    1-chlorotetradecane 0.87
    n-nonane 0.2
    undecane 0.22
    tert-butylcyclohexane 0.18
    cyclooctane 0.1
    cyclopentanol 43.17
    tetrahydropyran 53.75
    tert-amyl methyl ether 12.85
    2,5,8-trioxanonane 71.71
    1-hexene 0.78
    2-isopropoxyethanol 47.04
    2,2,2-trifluoroethanol 22.69
    methyl butyrate 32.84

    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