2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one

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  • Identifiers

    CAS number
    23806-62-4

    Molecular formula
    C20H20O7

    SMILES
    CC(C)(CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 50.29%
    Odorless 47.06%
    Sweet 26.05%
    Balsamic 25.0%
    Burnt 24.51%
    Animal 24.18%
    Spicy 23.86%
    Woody 23.81%
    Smoky 23.79%
    Dry 22.13%

     

    Flavor
    Bitter 85.7%
    Odorless 27.49%
    Bland 24.09%
    Mild 23.71%
    Cedarleaf 21.26%
    Sweet-like 20.71%
    Parsley 20.25%
    Lovage 19.77%
    Broom 19.61%
    Heather 19.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    10.33 (weak base)

    Molecular weight
    372.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1255°C

    Flash point

    • 275.9 ˚C est.

  • Synonyms

    • 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one
    • 23806-62-4
    • RefChem:250149
    • DTXSID301125614
    • 23806-62-4

  • Applications

    Chemical name: 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one; CAS 23806-62-4. In industrial and consumer formulations, this polyphenolic flavonoid-like compound is commonly evaluated as an antioxidant and stabilizer, with potential use as an intermediate for the synthesis of other flavonoid derivatives in pharmaceutical research. It may be leveraged as an antioxidant additive in cosmetics and personal care products to improve formulation stability; in polymers, plastics, coatings and inks as a natural stabilizer/antioxidant to enhance processing durability; as an additive in adhesives to improve aging resistance; and in household cleaning formulations as a stabilizer or functional antioxidant.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.86
    methanol 4.6
    isopropanol 1.35
    water 0.05
    ethyl acetate 1.06
    n-propanol 2.22
    acetone 2.37
    n-butanol 1.37
    acetonitrile 1.87
    DMF 104.39
    toluene 0.08
    isobutanol 1.12
    1,4-dioxane 8.34
    methyl acetate 2.59
    THF 28.07
    2-butanone 2.71
    n-pentanol 1.58
    sec-butanol 1.16
    n-hexane 0.01
    ethylene glycol 28.26
    NMP 99.35
    cyclohexane 0.01
    DMSO 333.22
    n-butyl acetate 1.6
    n-octanol 1.03
    chloroform 0.06
    n-propyl acetate 2.32
    acetic acid 21.8
    dichloromethane 0.09
    cyclohexanone 4.22
    propylene glycol 63.24
    isopropyl acetate 0.95
    DMAc 81.48
    2-ethoxyethanol 48.04
    isopentanol 1.21
    n-heptane 0.01
    ethyl formate 2.1
    1,2-dichloroethane 0.16
    n-hexanol 0.64
    2-methoxyethanol 110.46
    isobutyl acetate 1.52
    tetrachloromethane 0.01
    n-pentyl acetate 1.87
    transcutol 288.82
    n-heptanol 0.89
    ethylbenzene 0.07
    MIBK 1.27
    2-propoxyethanol 39.84
    tert-butanol 1.88
    MTBE 0.44
    2-butoxyethanol 21.41
    propionic acid 8.65
    o-xylene 0.07
    formic acid 35.77
    diethyl ether 0.3
    m-xylene 0.08
    p-xylene 0.11
    chlorobenzene 0.08
    dimethyl carbonate 5.28
    n-octane 0.01
    formamide 47.4
    cyclopentanone 17.69
    2-pentanone 1.61
    anisole 1.01
    cyclopentyl methyl ether 1.73
    gamma-butyrolactone 39.92
    1-methoxy-2-propanol 82.5
    pyridine 2.54
    3-pentanone 0.89
    furfural 30.53
    n-dodecane 0.01
    diethylene glycol 92.34
    diisopropyl ether 0.08
    tert-amyl alcohol 1.38
    acetylacetone 6.43
    n-hexadecane 0.01
    acetophenone 2.25
    methyl propionate 3.45
    isopentyl acetate 1.85
    trichloroethylene 0.39
    n-nonanol 1.12
    cyclohexanol 0.87
    benzyl alcohol 2.43
    2-ethylhexanol 0.44
    isooctanol 0.79
    dipropyl ether 0.8
    1,2-dichlorobenzene 0.11
    ethyl lactate 11.24
    propylene carbonate 9.0
    n-methylformamide 37.74
    2-pentanol 0.59
    n-pentane 0.01
    1-propoxy-2-propanol 26.24
    1-methoxy-2-propyl acetate 11.87
    2-(2-methoxypropoxy) propanol 41.71
    mesitylene 0.05
    ε-caprolactone 8.08
    p-cymene 0.1
    epichlorohydrin 17.44
    1,1,1-trichloroethane 0.06
    2-aminoethanol 31.84
    morpholine-4-carbaldehyde 128.76
    sulfolane 136.07
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 3.11
    n-hexyl acetate 2.89
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 70.93
    sec-butyl acetate 1.08
    tert-butyl acetate 1.99
    decalin 0.01
    glycerin 220.82
    diglyme 94.52
    acrylic acid 17.69
    isopropyl myristate 1.09
    n-butyric acid 5.54
    acetyl acetate 1.06
    di(2-ethylhexyl) phthalate 2.91
    ethyl propionate 1.64
    nitromethane 55.26
    1,2-diethoxyethane 7.95
    benzonitrile 1.16
    trioctyl phosphate 1.79
    1-bromopropane 0.05
    gamma-valerolactone 96.11
    n-decanol 0.79
    triethyl phosphate 1.7
    4-methyl-2-pentanol 0.52
    propionitrile 1.21
    vinylene carbonate 7.09
    1,1,2-trichlorotrifluoroethane 45.58
    DMS 5.2
    cumene 0.07
    2-octanol 0.5
    2-hexanone 2.13
    octyl acetate 1.79
    limonene 0.11
    1,2-dimethoxyethane 37.44
    ethyl orthosilicate 1.49
    tributyl phosphate 2.58
    diacetone alcohol 17.0
    N,N-dimethylaniline 0.9
    acrylonitrile 4.11
    aniline 0.57
    1,3-propanediol 25.82
    bromobenzene 0.04
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.47
    2-methyl-cyclohexyl acetate 2.36
    tetrabutyl urea 4.66
    diisobutyl methanol 0.46
    2-phenylethanol 1.84
    styrene 0.08
    dioctyl adipate 3.83
    dimethyl sulfate 19.84
    ethyl butyrate 1.72
    methyl lactate 31.1
    butyl lactate 11.46
    diethyl carbonate 1.25
    propanediol butyl ether 52.48
    triethyl orthoformate 2.63
    p-tert-butyltoluene 0.1
    methyl 4-tert-butylbenzoate 7.68
    morpholine 19.59
    tert-butylamine 0.29
    n-dodecanol 0.52
    dimethoxymethane 26.56
    ethylene carbonate 4.44
    cyrene 51.05
    2-ethoxyethyl acetate 8.18
    2-ethylhexyl acetate 1.15
    1,2,4-trichlorobenzene 0.27
    4-methylpyridine 1.51
    dibutyl ether 0.93
    2,6-dimethyl-4-heptanol 0.46
    DEF 5.18
    dimethyl isosorbide 70.56
    tetrachloroethylene 0.15
    eugenol 14.07
    triacetin 14.29
    span 80 24.06
    1,4-butanediol 11.96
    1,1-dichloroethane 0.06
    2-methyl-1-pentanol 1.14
    methyl formate 21.82
    2-methyl-1-butanol 1.1
    n-decane 0.02
    butyronitrile 0.82
    3,7-dimethyl-1-octanol 0.92
    1-chlorooctane 0.1
    1-chlorotetradecane 0.05
    n-nonane 0.01
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 2.52
    tetrahydropyran 1.29
    tert-amyl methyl ether 0.54
    2,5,8-trioxanonane 69.87
    1-hexene 0.05
    2-isopropoxyethanol 18.85
    2,2,2-trifluoroethanol 7.55
    methyl butyrate 3.01

    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