3-(2,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one

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  • Identifiers

    CAS number
    62682-11-5

    Molecular formula
    C20H22O7

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 48.68%
    Phenolic 44.75%
    Sweet 35.01%
    Spicy 29.67%
    Balsamic 29.3%
    Vanilla 25.91%
    Woody 24.84%
    Smoky 23.01%
    Animal 21.1%
    Creamy 20.59%

     

    Flavor
    Bitter 88.52%
    Bland 26.59%
    Odorless 26.39%
    Cedarleaf 21.3%
    Sweet-like 20.83%
    Parsley 20.03%
    Lovage 19.92%
    Red fruit 19.1%
    Ripe apricot 19.1%
    Heather 19.06%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    10.29 (weak base)

    Molecular weight
    374.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1954°C

    Flash point

    • 267.98 ˚C est.

  • Synonyms

    • Kievitone hydrate
    • 62682-11-5
    • 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one
    • 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-3,4-dihydro-2H-1-benzopyran-4-one
    • CHEBI:17529
    • RefChem:935617
    • GlyTouCan:G66715OY
    • G66715OY
    • 3-(2,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one
    • 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2,3-dihydro-4H-chromen-4-one
    • 3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)chroman-4-one
    • C02549
    • SCHEMBL1999610
    • DTXSID20978292
    • Q27102441
    • 3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2,3-dihydro-4H-1-benzopyran-4-one
    • 62682-11-5

  • Applications

    3-(2,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one (CAS 62682-11-5) is a prenylated flavonoid that may be used as an antioxidant ingredient in cosmetics and personal care, as a chemical intermediate for the synthesis of flavonoid derivatives in pharmaceutical research, as a fragrance ingredient or odorant scaffold in perfumery, and as an antioxidant/stabilizer additive in polymers, coatings, and inks to enhance product longevity.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.52
    methanol 191.49
    isopropanol 44.91
    water 0.36
    ethyl acetate 43.86
    n-propanol 38.65
    acetone 214.54
    n-butanol 26.67
    acetonitrile 68.45
    DMF 904.42
    toluene 1.27
    isobutanol 22.2
    1,4-dioxane 99.31
    methyl acetate 62.24
    THF 431.95
    2-butanone 90.46
    n-pentanol 17.99
    sec-butanol 22.27
    n-hexane 0.09
    ethylene glycol 74.78
    NMP 292.7
    cyclohexane 0.16
    DMSO 2078.71
    n-butyl acetate 16.21
    n-octanol 8.55
    chloroform 7.31
    n-propyl acetate 26.85
    acetic acid 206.36
    dichloromethane 5.41
    cyclohexanone 81.3
    propylene glycol 129.01
    isopropyl acetate 25.8
    DMAc 609.92
    2-ethoxyethanol 188.84
    isopentanol 22.42
    n-heptane 0.14
    ethyl formate 55.9
    1,2-dichloroethane 8.95
    n-hexanol 8.21
    2-methoxyethanol 534.68
    isobutyl acetate 13.62
    tetrachloromethane 1.01
    n-pentyl acetate 11.26
    transcutol 245.56
    n-heptanol 7.36
    ethylbenzene 0.84
    MIBK 32.82
    2-propoxyethanol 155.9
    tert-butanol 67.24
    MTBE 11.15
    2-butoxyethanol 49.85
    propionic acid 64.08
    o-xylene 1.28
    formic acid 200.86
    diethyl ether 11.18
    m-xylene 1.46
    p-xylene 1.4
    chlorobenzene 1.83
    dimethyl carbonate 82.8
    n-octane 0.1
    formamide 287.44
    cyclopentanone 228.31
    2-pentanone 67.83
    anisole 11.88
    cyclopentyl methyl ether 31.48
    gamma-butyrolactone 268.79
    1-methoxy-2-propanol 367.0
    pyridine 25.92
    3-pentanone 33.2
    furfural 126.71
    n-dodecane 0.16
    diethylene glycol 210.34
    diisopropyl ether 2.33
    tert-amyl alcohol 25.61
    acetylacetone 149.52
    n-hexadecane 0.18
    acetophenone 20.62
    methyl propionate 75.25
    isopentyl acetate 14.95
    trichloroethylene 20.99
    n-nonanol 8.46
    cyclohexanol 14.33
    benzyl alcohol 18.6
    2-ethylhexanol 4.63
    isooctanol 6.45
    dipropyl ether 8.71
    1,2-dichlorobenzene 2.65
    ethyl lactate 50.32
    propylene carbonate 66.78
    n-methylformamide 395.81
    2-pentanol 12.82
    n-pentane 0.1
    1-propoxy-2-propanol 84.44
    1-methoxy-2-propyl acetate 56.61
    2-(2-methoxypropoxy) propanol 64.74
    mesitylene 1.08
    ε-caprolactone 65.17
    p-cymene 1.19
    epichlorohydrin 221.67
    1,1,1-trichloroethane 6.02
    2-aminoethanol 104.98
    morpholine-4-carbaldehyde 315.49
    sulfolane 451.54
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 50.04
    n-hexyl acetate 17.03
    isooctane 0.12
    2-(2-butoxyethoxy)ethanol 92.83
    sec-butyl acetate 12.83
    tert-butyl acetate 30.49
    decalin 0.13
    glycerin 274.84
    diglyme 168.78
    acrylic acid 73.98
    isopropyl myristate 7.25
    n-butyric acid 71.64
    acetyl acetate 30.79
    di(2-ethylhexyl) phthalate 11.05
    ethyl propionate 27.87
    nitromethane 625.6
    1,2-diethoxyethane 31.88
    benzonitrile 11.62
    trioctyl phosphate 9.65
    1-bromopropane 2.44
    gamma-valerolactone 371.75
    n-decanol 6.2
    triethyl phosphate 12.67
    4-methyl-2-pentanol 9.16
    propionitrile 36.23
    vinylene carbonate 55.07
    1,1,2-trichlorotrifluoroethane 187.43
    DMS 28.15
    cumene 0.79
    2-octanol 4.68
    2-hexanone 27.87
    octyl acetate 10.93
    limonene 1.77
    1,2-dimethoxyethane 241.35
    ethyl orthosilicate 10.64
    tributyl phosphate 11.9
    diacetone alcohol 110.78
    N,N-dimethylaniline 8.76
    acrylonitrile 74.8
    aniline 7.19
    1,3-propanediol 142.86
    bromobenzene 1.18
    dibromomethane 2.44
    1,1,2,2-tetrachloroethane 20.96
    2-methyl-cyclohexyl acetate 13.29
    tetrabutyl urea 21.0
    diisobutyl methanol 4.71
    2-phenylethanol 13.0
    styrene 0.97
    dioctyl adipate 15.27
    dimethyl sulfate 158.46
    ethyl butyrate 16.45
    methyl lactate 148.27
    butyl lactate 27.05
    diethyl carbonate 12.44
    propanediol butyl ether 65.47
    triethyl orthoformate 15.87
    p-tert-butyltoluene 1.27
    methyl 4-tert-butylbenzoate 27.21
    morpholine 162.11
    tert-butylamine 8.57
    n-dodecanol 4.31
    dimethoxymethane 418.47
    ethylene carbonate 49.09
    cyrene 83.04
    2-ethoxyethyl acetate 26.06
    2-ethylhexyl acetate 8.75
    1,2,4-trichlorobenzene 4.65
    4-methylpyridine 20.2
    dibutyl ether 6.7
    2,6-dimethyl-4-heptanol 4.71
    DEF 93.34
    dimethyl isosorbide 122.72
    tetrachloroethylene 9.15
    eugenol 32.49
    triacetin 36.94
    span 80 40.24
    1,4-butanediol 55.37
    1,1-dichloroethane 5.99
    2-methyl-1-pentanol 12.03
    methyl formate 307.73
    2-methyl-1-butanol 16.12
    n-decane 0.27
    butyronitrile 23.96
    3,7-dimethyl-1-octanol 7.96
    1-chlorooctane 1.49
    1-chlorotetradecane 0.7
    n-nonane 0.2
    undecane 0.2
    tert-butylcyclohexane 0.13
    cyclooctane 0.09
    cyclopentanol 36.57
    tetrahydropyran 31.83
    tert-amyl methyl ether 9.5
    2,5,8-trioxanonane 129.66
    1-hexene 0.51
    2-isopropoxyethanol 79.51
    2,2,2-trifluoroethanol 70.7
    methyl butyrate 42.23

    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