7,8,3',4'-Tetrahydroxyflavone

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  • Identifiers

    CAS number
    3440-24-2

    Molecular formula
    C15H10O6

    SMILES
    C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 60.15%
    Odorless 56.37%
    Burnt 46.15%
    Smoky 29.71%
    Medicinal 26.35%
    Spicy 23.73%
    Balsamic 21.63%
    Vanilla 21.45%
    Savory 21.23%
    Caramellic 18.69%

     

    Flavor
    Bitter 93.27%
    Odorless 21.28%
    Sweet-like 21.09%
    Very strong 20.03%
    Eugenol 19.51%
    Indole 19.49%
    Rotten 19.39%
    Curry 19.26%
    Nitrile 19.25%
    Mild 19.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    9.66 (weak base)

    Molecular weight
    286.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    785°C

    Flash point

    • 242.56 ˚C est.

  • Synonyms

    • 3440-24-2
    • 7,8,3',4'-tetrahydroxyflavone
    • 2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-4H-chromen-4-one
    • DTXSID20350973
    • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-
    • RefChem:105534
    • DTXCID90302040
    • ARYCMKPCDNHQCL-UHFFFAOYSA-N
    • 3',4',7,8-Tetrahydroxyflavone
    • 2-(3,4-dihydroxyphenyl)-7,8-dihydroxychromen-4-one
    • MFCD00017435
    • CHEMBL222541
    • ST059620
    • 2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-chromen-4-one
    • 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one
    • 2-(3,4-Dihydroxyphenyl)-7,8-dihydroxy-4H-1-benzopyran-4-one
    • 7,8,3 inverted exclamation marka,4 inverted exclamation marka-Tetrahydroxyflavone
    • 2-(3,4-Bis(oxidanyl)phenyl)-7,8-bis(oxidanyl)chromen-4-one
    • SQH
    • SE9ZF942CK
    • SCHEMBL35318
    • orb1683669
    • CHEBI:125596
    • HY-N8600
    • 7,8,3'',4''-tetrahydroxyflavone
    • BDBM50157547
    • AKOS024283046
    • FT67633
    • PD183059
    • DB-048618
    • CS-0148693
    • G76881
    • BRD-K58443469-001-01-0
    • Q27216211
    • 2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1-benzopyran-4-one
    • 3440-24-2

  • Applications

    7,8,3',4'-Tetrahydroxyflavone (CAS 3440-24-2) is a polyhydroxyflavone primarily used as an intermediate in the synthesis of flavonoid derivatives; it is also studied for antioxidant and radical-scavenging properties and is evaluated for use as a stabilizer or UV-absorbing additive in cosmetics and in polymer coatings and inks; it serves as a scaffold in pharmaceutical research for the development of flavonoid-based compounds; and, under regulatory controls, may be considered as an antioxidant ingredient in food processing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.15
    methanol 0.95
    isopropanol 1.95
    water 0.02
    ethyl acetate 0.84
    n-propanol 2.17
    acetone 0.16
    n-butanol 2.0
    acetonitrile 0.16
    DMF 6.35
    toluene 0.06
    isobutanol 0.91
    1,4-dioxane 3.98
    methyl acetate 0.91
    THF 14.69
    2-butanone 1.2
    n-pentanol 0.86
    sec-butanol 3.23
    n-hexane 0.0
    ethylene glycol 4.19
    NMP 2.77
    cyclohexane 0.0
    DMSO 11.76
    n-butyl acetate 0.54
    n-octanol 0.97
    chloroform 0.0
    n-propyl acetate 0.46
    acetic acid 1.27
    dichloromethane 0.0
    cyclohexanone 0.72
    propylene glycol 3.82
    isopropyl acetate 1.02
    DMAc 18.73
    2-ethoxyethanol 13.69
    isopentanol 1.7
    n-heptane 0.02
    ethyl formate 0.31
    1,2-dichloroethane 0.0
    n-hexanol 0.65
    2-methoxyethanol 34.95
    isobutyl acetate 0.17
    tetrachloromethane 0.0
    n-pentyl acetate 1.21
    transcutol 37.83
    n-heptanol 1.22
    ethylbenzene 0.06
    MIBK 0.79
    2-propoxyethanol 9.61
    tert-butanol 3.92
    MTBE 1.78
    2-butoxyethanol 7.45
    propionic acid 1.35
    o-xylene 0.11
    formic acid 2.56
    diethyl ether 0.7
    m-xylene 0.08
    p-xylene 0.05
    chlorobenzene 0.01
    dimethyl carbonate 1.1
    n-octane 0.02
    formamide 7.58
    cyclopentanone 1.53
    2-pentanone 0.74
    anisole 0.75
    cyclopentyl methyl ether 1.71
    gamma-butyrolactone 2.84
    1-methoxy-2-propanol 24.53
    pyridine 0.96
    3-pentanone 0.45
    furfural 2.06
    n-dodecane 0.02
    diethylene glycol 13.07
    diisopropyl ether 0.24
    tert-amyl alcohol 4.94
    acetylacetone 1.72
    n-hexadecane 0.03
    acetophenone 0.68
    methyl propionate 1.39
    isopentyl acetate 0.81
    trichloroethylene 0.01
    n-nonanol 1.31
    cyclohexanol 1.21
    benzyl alcohol 0.92
    2-ethylhexanol 0.53
    isooctanol 1.05
    dipropyl ether 1.19
    1,2-dichlorobenzene 0.01
    ethyl lactate 1.28
    propylene carbonate 0.58
    n-methylformamide 2.42
    2-pentanol 1.71
    n-pentane 0.0
    1-propoxy-2-propanol 7.6
    1-methoxy-2-propyl acetate 3.62
    2-(2-methoxypropoxy) propanol 9.86
    mesitylene 0.07
    ε-caprolactone 1.78
    p-cymene 0.15
    epichlorohydrin 2.12
    1,1,1-trichloroethane 0.0
    2-aminoethanol 6.16
    morpholine-4-carbaldehyde 11.75
    sulfolane 4.06
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 3.53
    n-hexyl acetate 1.37
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 14.8
    sec-butyl acetate 0.56
    tert-butyl acetate 2.34
    decalin 0.01
    glycerin 16.21
    diglyme 22.23
    acrylic acid 1.27
    isopropyl myristate 0.93
    n-butyric acid 1.39
    acetyl acetate 0.35
    di(2-ethylhexyl) phthalate 0.8
    ethyl propionate 0.68
    nitromethane 2.29
    1,2-diethoxyethane 5.22
    benzonitrile 0.18
    trioctyl phosphate 0.67
    1-bromopropane 0.01
    gamma-valerolactone 7.66
    n-decanol 1.01
    triethyl phosphate 0.59
    4-methyl-2-pentanol 0.88
    propionitrile 0.32
    vinylene carbonate 0.36
    1,1,2-trichlorotrifluoroethane 2.65
    DMS 1.03
    cumene 0.06
    2-octanol 1.0
    2-hexanone 0.43
    octyl acetate 1.11
    limonene 0.17
    1,2-dimethoxyethane 12.71
    ethyl orthosilicate 0.75
    tributyl phosphate 0.66
    diacetone alcohol 8.93
    N,N-dimethylaniline 0.68
    acrylonitrile 0.47
    aniline 0.54
    1,3-propanediol 10.57
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.01
    2-methyl-cyclohexyl acetate 0.62
    tetrabutyl urea 1.5
    diisobutyl methanol 0.77
    2-phenylethanol 0.98
    styrene 0.04
    dioctyl adipate 1.39
    dimethyl sulfate 2.02
    ethyl butyrate 0.72
    methyl lactate 4.37
    butyl lactate 1.99
    diethyl carbonate 0.44
    propanediol butyl ether 6.53
    triethyl orthoformate 1.3
    p-tert-butyltoluene 0.19
    methyl 4-tert-butylbenzoate 2.76
    morpholine 11.05
    tert-butylamine 0.81
    n-dodecanol 0.72
    dimethoxymethane 8.44
    ethylene carbonate 0.32
    cyrene 4.34
    2-ethoxyethyl acetate 3.27
    2-ethylhexyl acetate 0.48
    1,2,4-trichlorobenzene 0.03
    4-methylpyridine 0.47
    dibutyl ether 1.25
    2,6-dimethyl-4-heptanol 0.77
    DEF 2.76
    dimethyl isosorbide 9.12
    tetrachloroethylene 0.01
    eugenol 3.33
    triacetin 2.21
    span 80 4.99
    1,4-butanediol 2.19
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 1.01
    methyl formate 1.02
    2-methyl-1-butanol 1.86
    n-decane 0.04
    butyronitrile 0.27
    3,7-dimethyl-1-octanol 1.06
    1-chlorooctane 0.11
    1-chlorotetradecane 0.07
    n-nonane 0.02
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 1.54
    tetrahydropyran 1.51
    tert-amyl methyl ether 2.58
    2,5,8-trioxanonane 17.01
    1-hexene 0.01
    2-isopropoxyethanol 6.64
    2,2,2-trifluoroethanol 0.6
    methyl butyrate 0.68

    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