3,3',4',5,5',8-Hexahydroxyflavone

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  • Identifiers

    CAS number
    90332-28-8

    Molecular formula
    C15H10O8

    SMILES
    C1=CC(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C(=C3)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 66.66%
    Phenolic 51.63%
    Burnt 38.28%
    Smoky 24.12%
    Medicinal 20.86%
    Spicy 17.88%
    Savory 17.37%
    Balsamic 16.41%
    Dry 14.87%
    Bitter 14.42%

     

    Flavor
    Bitter 91.86%
    Odorless 27.39%
    Sweet-like 22.41%
    Bland 22.07%
    Mild 21.36%
    Eugenol 20.35%
    Rotten 20.11%
    Cedarleaf 20.0%
    Very strong 19.89%
    Indole 19.72%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    10.64 (weak base)

    Molecular weight
    318.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1076°C

    Melting point expt.

    • 297 - 300 °C

    Flash point

    • 270.64 ˚C est.

  • Synonyms

    • 3,3',4',5,5',8-Hexahydroxyflavone
    • 90332-28-8
    • 3,5,8,3',4',5'-Hexahydroxyflavone
    • 3,5,8-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
    • SCHEMBL1880963
    • DTXSID60658066
    • CHEBI:175073
    • 3,5,8-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)CHROMEN-4-ONE
    • LMPK12111618
    • 3',4',5,5',8-Pentahydroxyflavonol
    • 3,5,8,3',4',5'-Hexahydroxyflavon
    • 3,5,8-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
    • 3,5,8-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one, 9CI
    • 90332-28-8

  • Applications

    3,3',4',5,5',8-Hexahydroxyflavone (CAS 90332-28-8) is a polyphenolic flavone that is often evaluated for use as an antioxidant additive and chemical intermediate across multiple industries. In cosmetics and personal care, it is explored as an antioxidant stabilizer in formulations. In coatings and inks, it can function as a stabilizer for resins and pigments to mitigate oxidative degradation. In polymers and plastics, it may serve as a stabilizer or processing aid to improve long-term material stability. In pharmaceutical research, it can act as a building block for flavonoid-derived compounds. In household cleaning formulations, it may be considered to enhance product stability under light and heat.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.68
    methanol 0.62
    isopropanol 1.04
    water 0.01
    ethyl acetate 0.37
    n-propanol 1.48
    acetone 0.02
    n-butanol 1.07
    acetonitrile 0.04
    DMF 5.34
    toluene 0.03
    isobutanol 0.54
    1,4-dioxane 1.38
    methyl acetate 0.32
    THF 6.18
    2-butanone 0.39
    n-pentanol 0.49
    sec-butanol 1.8
    n-hexane 0.0
    ethylene glycol 3.85
    NMP 6.52
    cyclohexane 0.0
    DMSO 9.92
    n-butyl acetate 0.37
    n-octanol 1.44
    chloroform 0.0
    n-propyl acetate 0.25
    acetic acid 0.45
    dichloromethane 0.0
    cyclohexanone 0.35
    propylene glycol 4.34
    isopropyl acetate 0.38
    DMAc 13.38
    2-ethoxyethanol 10.46
    isopentanol 0.84
    n-heptane 0.02
    ethyl formate 0.14
    1,2-dichloroethane 0.0
    n-hexanol 0.57
    2-methoxyethanol 25.86
    isobutyl acetate 0.06
    tetrachloromethane 0.0
    n-pentyl acetate 0.88
    transcutol 15.37
    n-heptanol 1.4
    ethylbenzene 0.03
    MIBK 0.24
    2-propoxyethanol 9.58
    tert-butanol 1.86
    MTBE 0.57
    2-butoxyethanol 7.53
    propionic acid 0.85
    o-xylene 0.06
    formic acid 1.52
    diethyl ether 0.26
    m-xylene 0.04
    p-xylene 0.02
    chlorobenzene 0.0
    dimethyl carbonate 0.6
    n-octane 0.01
    formamide 3.17
    cyclopentanone 0.99
    2-pentanone 0.25
    anisole 0.28
    cyclopentyl methyl ether 1.13
    gamma-butyrolactone 2.15
    1-methoxy-2-propanol 22.79
    pyridine 0.42
    3-pentanone 0.18
    furfural 1.28
    n-dodecane 0.02
    diethylene glycol 12.38
    diisopropyl ether 0.09
    tert-amyl alcohol 2.38
    acetylacetone 0.39
    n-hexadecane 0.02
    acetophenone 0.32
    methyl propionate 0.89
    isopentyl acetate 0.36
    trichloroethylene 0.0
    n-nonanol 1.67
    cyclohexanol 0.71
    benzyl alcohol 0.43
    2-ethylhexanol 0.39
    isooctanol 1.02
    dipropyl ether 0.82
    1,2-dichlorobenzene 0.0
    ethyl lactate 1.11
    propylene carbonate 0.36
    n-methylformamide 1.88
    2-pentanol 0.91
    n-pentane 0.0
    1-propoxy-2-propanol 7.59
    1-methoxy-2-propyl acetate 2.2
    2-(2-methoxypropoxy) propanol 6.03
    mesitylene 0.03
    ε-caprolactone 1.23
    p-cymene 0.09
    epichlorohydrin 0.85
    1,1,1-trichloroethane 0.0
    2-aminoethanol 6.01
    morpholine-4-carbaldehyde 9.74
    sulfolane 5.01
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.94
    n-hexyl acetate 1.14
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 9.85
    sec-butyl acetate 0.22
    tert-butyl acetate 0.81
    decalin 0.0
    glycerin 17.74
    diglyme 12.91
    acrylic acid 0.85
    isopropyl myristate 0.57
    n-butyric acid 0.77
    acetyl acetate 0.08
    di(2-ethylhexyl) phthalate 0.45
    ethyl propionate 0.39
    nitromethane 0.66
    1,2-diethoxyethane 1.97
    benzonitrile 0.08
    trioctyl phosphate 0.56
    1-bromopropane 0.0
    gamma-valerolactone 5.25
    n-decanol 1.13
    triethyl phosphate 0.37
    4-methyl-2-pentanol 0.43
    propionitrile 0.15
    vinylene carbonate 0.19
    1,1,2-trichlorotrifluoroethane 1.82
    DMS 0.53
    cumene 0.03
    2-octanol 1.12
    2-hexanone 0.21
    octyl acetate 0.82
    limonene 0.11
    1,2-dimethoxyethane 6.32
    ethyl orthosilicate 0.42
    tributyl phosphate 0.38
    diacetone alcohol 5.11
    N,N-dimethylaniline 0.34
    acrylonitrile 0.24
    aniline 0.27
    1,3-propanediol 7.27
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.0
    2-methyl-cyclohexyl acetate 0.33
    tetrabutyl urea 1.14
    diisobutyl methanol 0.37
    2-phenylethanol 0.55
    styrene 0.02
    dioctyl adipate 0.76
    dimethyl sulfate 1.26
    ethyl butyrate 0.49
    methyl lactate 3.91
    butyl lactate 1.85
    diethyl carbonate 0.24
    propanediol butyl ether 6.98
    triethyl orthoformate 0.78
    p-tert-butyltoluene 0.11
    methyl 4-tert-butylbenzoate 1.77
    morpholine 6.12
    tert-butylamine 0.41
    n-dodecanol 0.7
    dimethoxymethane 4.71
    ethylene carbonate 0.17
    cyrene 3.67
    2-ethoxyethyl acetate 1.75
    2-ethylhexyl acetate 0.23
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.22
    dibutyl ether 0.7
    2,6-dimethyl-4-heptanol 0.37
    DEF 1.79
    dimethyl isosorbide 5.68
    tetrachloroethylene 0.0
    eugenol 2.01
    triacetin 1.19
    span 80 4.04
    1,4-butanediol 1.6
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.46
    methyl formate 0.51
    2-methyl-1-butanol 1.0
    n-decane 0.04
    butyronitrile 0.1
    3,7-dimethyl-1-octanol 0.78
    1-chlorooctane 0.1
    1-chlorotetradecane 0.05
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 1.2
    tetrahydropyran 0.57
    tert-amyl methyl ether 1.06
    2,5,8-trioxanonane 9.84
    1-hexene 0.01
    2-isopropoxyethanol 4.4
    2,2,2-trifluoroethanol 0.27
    methyl butyrate 0.4

    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