5,7-Dihydroxy-2-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-3-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one

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  • Identifiers

    CAS number
    62949-77-3

    Molecular formula
    C25H24O6

    SMILES
    CC(=CCC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=C4C(=C(C=C3)O)C=CC(O4)(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 46.21%
    Spicy 38.54%
    Fruity 31.05%
    Woody 29.51%
    Odorless 26.78%
    Dry 25.2%
    Sweet 24.84%
    Smoky 23.66%
    Animal 23.62%
    Burnt 23.51%

     

    Flavor
    Bitter 93.09%
    Cedarleaf 20.15%
    Parsley 19.73%
    Lovage 19.33%
    Ripe apricot 18.53%
    Red fruit 18.46%
    Bland 18.36%
    Nitrile 18.1%
    Heather 18.04%
    Broom 17.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    10.15 (weak base)

    Molecular weight
    420.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1572°C

    Flash point

    • 251.53 ˚C est.

  • Synonyms

    • Kuwanon A
    • 62949-77-3
    • 5,7-dihydroxy-2-(5-hydroxy-2,2-dimethylchromen-8-yl)-3-(3-methylbut-2-enyl)chromen-4-one
    • UKY8P8K8Y7
    • DTXSID701108820
    • 5,7-Dihydroxy-2-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-3-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
    • RefChem:912994
    • DTXCID601540459
    • 5,5',7-Trihydroxy-2',2'-dimethyl-3-(3-methylbut-2-en-1-yl)-2'H,4H-[2,8'-bichromen]-4-one
    • 5,7-Dihydroxy-2-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
    • CHEMBL1770312
    • KuwanonA
    • Kuwanon A?
    • orb1296067
    • SCHEMBL30727512
    • SCHEMBL30727513
    • CHEBI:169841
    • HY-N2300
    • BDBM50343136
    • LMPK12110918
    • MFCD31382182
    • AKOS032946057
    • CS-6886
    • EBC-618499
    • DA-54708
    • MS-27377
    • 2-(2,2-dimethyl-5-oxidanyl-chromen-8-yl)-3-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)chromen-4-one
    • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-3-(3-methyl-2-buten-1-yl)-
    • 5,7-Dihydroxy-2-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CI
    • 5,7-dihydroxy-2-(5-hydroxy-2,2-dimethyl-chromen-8-yl)-3-(3-methylbut-2-enyl)chromen-4-one
    • 62949-77-3

  • Applications

    5,7-Dihydroxy-2-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-3-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one (CAS 62949-77-3) is a prenylated chromone derivative used as a building block in organic synthesis and in drug discovery workflows; in cosmetics and personal care it is commonly evaluated for antioxidant activity and as a formulation ingredient; in polymers/plastics as an additive to improve oxidative stability or UV resistance; and in coatings/inks as a functional additive for color stability and surface protection.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.41
    methanol 4.63
    isopropanol 1.96
    water 0.0
    ethyl acetate 5.14
    n-propanol 3.43
    acetone 12.38
    n-butanol 2.19
    acetonitrile 5.77
    DMF 96.29
    toluene 0.94
    isobutanol 2.54
    1,4-dioxane 17.34
    methyl acetate 12.51
    THF 47.87
    2-butanone 14.1
    n-pentanol 2.44
    sec-butanol 2.24
    n-hexane 0.02
    ethylene glycol 3.97
    NMP 116.67
    cyclohexane 0.03
    DMSO 115.35
    n-butyl acetate 7.15
    n-octanol 2.27
    chloroform 11.59
    n-propyl acetate 7.27
    acetic acid 24.25
    dichloromethane 10.34
    cyclohexanone 19.41
    propylene glycol 10.04
    isopropyl acetate 4.01
    DMAc 125.21
    2-ethoxyethanol 19.38
    isopentanol 2.23
    n-heptane 0.04
    ethyl formate 5.86
    1,2-dichloroethane 6.89
    n-hexanol 1.44
    2-methoxyethanol 39.45
    isobutyl acetate 6.08
    tetrachloromethane 0.39
    n-pentyl acetate 7.49
    transcutol 144.09
    n-heptanol 2.04
    ethylbenzene 0.52
    MIBK 4.67
    2-propoxyethanol 28.47
    tert-butanol 2.63
    MTBE 1.97
    2-butoxyethanol 16.5
    propionic acid 11.64
    o-xylene 0.65
    formic acid 10.58
    diethyl ether 1.2
    m-xylene 0.65
    p-xylene 1.03
    chlorobenzene 2.58
    dimethyl carbonate 12.98
    n-octane 0.02
    formamide 15.9
    cyclopentanone 47.14
    2-pentanone 6.53
    anisole 4.76
    cyclopentyl methyl ether 5.91
    gamma-butyrolactone 68.98
    1-methoxy-2-propanol 32.17
    pyridine 18.31
    3-pentanone 5.58
    furfural 47.44
    n-dodecane 0.05
    diethylene glycol 29.97
    diisopropyl ether 0.38
    tert-amyl alcohol 2.76
    acetylacetone 17.33
    n-hexadecane 0.06
    acetophenone 9.66
    methyl propionate 11.98
    isopentyl acetate 8.21
    trichloroethylene 29.24
    n-nonanol 2.51
    cyclohexanol 2.24
    benzyl alcohol 6.66
    2-ethylhexanol 1.36
    isooctanol 2.11
    dipropyl ether 2.09
    1,2-dichlorobenzene 3.09
    ethyl lactate 10.75
    propylene carbonate 20.25
    n-methylformamide 28.17
    2-pentanol 1.11
    n-pentane 0.02
    1-propoxy-2-propanol 21.06
    1-methoxy-2-propyl acetate 22.19
    2-(2-methoxypropoxy) propanol 31.46
    mesitylene 0.34
    ε-caprolactone 22.87
    p-cymene 0.77
    epichlorohydrin 74.94
    1,1,1-trichloroethane 3.96
    2-aminoethanol 7.16
    morpholine-4-carbaldehyde 106.06
    sulfolane 131.66
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 11.12
    n-hexyl acetate 9.31
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 36.38
    sec-butyl acetate 4.2
    tert-butyl acetate 5.77
    decalin 0.05
    glycerin 27.24
    diglyme 64.8
    acrylic acid 18.5
    isopropyl myristate 3.59
    n-butyric acid 9.16
    acetyl acetate 5.29
    di(2-ethylhexyl) phthalate 7.6
    ethyl propionate 5.81
    nitromethane 69.93
    1,2-diethoxyethane 13.63
    benzonitrile 6.61
    trioctyl phosphate 4.42
    1-bromopropane 1.33
    gamma-valerolactone 114.06
    n-decanol 1.75
    triethyl phosphate 5.41
    4-methyl-2-pentanol 1.04
    propionitrile 5.1
    vinylene carbonate 20.36
    1,1,2-trichlorotrifluoroethane 79.92
    DMS 19.57
    cumene 0.46
    2-octanol 1.32
    2-hexanone 7.23
    octyl acetate 5.13
    limonene 0.85
    1,2-dimethoxyethane 31.19
    ethyl orthosilicate 4.29
    tributyl phosphate 5.89
    diacetone alcohol 15.9
    N,N-dimethylaniline 3.8
    acrylonitrile 12.14
    aniline 3.86
    1,3-propanediol 8.69
    bromobenzene 2.1
    dibromomethane 3.37
    1,1,2,2-tetrachloroethane 22.33
    2-methyl-cyclohexyl acetate 6.93
    tetrabutyl urea 9.71
    diisobutyl methanol 1.18
    2-phenylethanol 5.99
    styrene 0.71
    dioctyl adipate 9.18
    dimethyl sulfate 35.88
    ethyl butyrate 5.79
    methyl lactate 22.96
    butyl lactate 14.56
    diethyl carbonate 4.73
    propanediol butyl ether 25.67
    triethyl orthoformate 7.04
    p-tert-butyltoluene 0.74
    methyl 4-tert-butylbenzoate 15.23
    morpholine 28.62
    tert-butylamine 0.65
    n-dodecanol 1.2
    dimethoxymethane 32.48
    ethylene carbonate 12.84
    cyrene 34.59
    2-ethoxyethyl acetate 21.4
    2-ethylhexyl acetate 5.72
    1,2,4-trichlorobenzene 7.42
    4-methylpyridine 11.92
    dibutyl ether 2.45
    2,6-dimethyl-4-heptanol 1.18
    DEF 14.9
    dimethyl isosorbide 59.43
    tetrachloroethylene 6.98
    eugenol 17.22
    triacetin 27.18
    span 80 20.85
    1,4-butanediol 3.97
    1,1-dichloroethane 4.09
    2-methyl-1-pentanol 2.51
    methyl formate 23.57
    2-methyl-1-butanol 2.41
    n-decane 0.07
    butyronitrile 3.2
    3,7-dimethyl-1-octanol 2.69
    1-chlorooctane 0.64
    1-chlorotetradecane 0.31
    n-nonane 0.05
    undecane 0.06
    tert-butylcyclohexane 0.05
    cyclooctane 0.02
    cyclopentanol 4.95
    tetrahydropyran 5.62
    tert-amyl methyl ether 1.95
    2,5,8-trioxanonane 48.6
    1-hexene 0.19
    2-isopropoxyethanol 12.74
    2,2,2-trifluoroethanol 7.65
    methyl butyrate 9.01

    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