3,6-Dihydroxyflavone

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  • Identifiers

    CAS number
    108238-41-1

    Molecular formula
    C15H10O4

    SMILES
    C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 56.62%
    Burnt 42.22%
    Fruity 41.44%
    Odorless 36.61%
    Medicinal 26.91%
    Balsamic 25.78%
    Bitter 25.67%
    Vanilla 25.39%
    Spicy 25.24%
    Smoky 23.99%

     

    Flavor
    Bitter 95.57%
    Very strong 20.6%
    Indole 20.2%
    Nitrile 19.79%
    Lovage 19.59%
    Cedarleaf 19.55%
    Moth ball 19.24%
    Curry 19.16%
    Sweet-like 19.14%
    Naphthelene 18.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    9.1 (weak base)

    Molecular weight
    254.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    616°C

    Flash point

    • 206.86 ˚C est.

  • Synonyms

    • 3,6-Dihydroxyflavone
    • 108238-41-1
    • 3,6-dihydroxy-2-phenylchromen-4-one
    • DTXSID90350940
    • RefChem:487574
    • DTXCID10302007
    • 681-235-1
    • 3,6-dihydroxy-2-phenyl-4H-chromen-4-one
    • MFCD00143082
    • 4H-1-Benzopyran-4-one, 3,6-dihydroxy-2-phenyl-
    • CHEMBL210411
    • 6-Hydroxyflavonol
    • 3,6-dihydroxy-flavone
    • 3,6-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one
    • Oprea1_396152
    • orb1299327
    • SCHEMBL1627936
    • 3,6-Dihydroxy-2-phenylchromone
    • HY-N8481
    • IEA23841
    • BDBM50187657
    • NSC792750
    • STL512574
    • AKOS024307412
    • EBC-607801
    • NSC-792750
    • 3,6-dihydroxy-2-phenyl-chromen-4-one
    • AS-64082
    • DA-69892
    • PD158952
    • CS-0144688
    • D5191
    • NS00116239
    • ST50319482
    • T70063
    • F622356
    • 108238-41-1

  • Applications

    3,6-Dihydroxyflavone may be used as an intermediate in organic synthesis for pharmaceutical compounds and as a building block for dye and pigment precursors used in coatings and inks; it is investigated as an antioxidant additive for cosmetics and personal care formulations; it can act as a UV-absorbing chromophore or stabilizer in polymer and plastic formulations used in coatings and printing applications; it is also viewed as a building block for functional materials in polymers and electronics; its use is subject to regulatory requirements and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.68
    methanol 1.56
    isopropanol 1.52
    water 0.0
    ethyl acetate 1.57
    n-propanol 2.01
    acetone 4.01
    n-butanol 1.74
    acetonitrile 1.2
    DMF 13.22
    toluene 1.47
    isobutanol 1.37
    1,4-dioxane 6.79
    methyl acetate 2.77
    THF 31.13
    2-butanone 5.23
    n-pentanol 1.6
    sec-butanol 1.86
    n-hexane 0.01
    ethylene glycol 1.64
    NMP 4.62
    cyclohexane 0.02
    DMSO 18.45
    n-butyl acetate 2.05
    n-octanol 2.21
    chloroform 0.05
    n-propyl acetate 1.85
    acetic acid 2.88
    dichloromethane 0.24
    cyclohexanone 4.69
    propylene glycol 1.53
    isopropyl acetate 2.28
    DMAc 22.68
    2-ethoxyethanol 7.0
    isopentanol 2.35
    n-heptane 0.06
    ethyl formate 1.34
    1,2-dichloroethane 0.75
    n-hexanol 1.91
    2-methoxyethanol 14.86
    isobutyl acetate 1.56
    tetrachloromethane 0.01
    n-pentyl acetate 3.57
    transcutol 53.89
    n-heptanol 2.38
    ethylbenzene 0.99
    MIBK 3.64
    2-propoxyethanol 8.49
    tert-butanol 3.33
    MTBE 2.61
    2-butoxyethanol 8.11
    propionic acid 1.72
    o-xylene 1.15
    formic acid 1.71
    diethyl ether 1.37
    m-xylene 1.02
    p-xylene 1.03
    chlorobenzene 0.48
    dimethyl carbonate 2.65
    n-octane 0.06
    formamide 5.22
    cyclopentanone 7.25
    2-pentanone 2.94
    anisole 3.93
    cyclopentyl methyl ether 4.21
    gamma-butyrolactone 6.87
    1-methoxy-2-propanol 9.56
    pyridine 8.3
    3-pentanone 1.87
    furfural 7.68
    n-dodecane 0.15
    diethylene glycol 9.3
    diisopropyl ether 0.65
    tert-amyl alcohol 3.12
    acetylacetone 6.24
    n-hexadecane 0.18
    acetophenone 4.13
    methyl propionate 2.27
    isopentyl acetate 3.24
    trichloroethylene 1.31
    n-nonanol 2.83
    cyclohexanol 1.76
    benzyl alcohol 3.56
    2-ethylhexanol 1.9
    isooctanol 2.51
    dipropyl ether 2.36
    1,2-dichlorobenzene 0.61
    ethyl lactate 2.09
    propylene carbonate 2.35
    n-methylformamide 3.63
    2-pentanol 1.3
    n-pentane 0.01
    1-propoxy-2-propanol 6.38
    1-methoxy-2-propyl acetate 6.16
    2-(2-methoxypropoxy) propanol 12.07
    mesitylene 0.61
    ε-caprolactone 3.92
    p-cymene 1.37
    epichlorohydrin 13.25
    1,1,1-trichloroethane 0.17
    2-aminoethanol 2.58
    morpholine-4-carbaldehyde 11.45
    sulfolane 8.05
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 6.09
    n-hexyl acetate 4.7
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 17.73
    sec-butyl acetate 1.82
    tert-butyl acetate 4.84
    decalin 0.06
    glycerin 5.09
    diglyme 33.11
    acrylic acid 2.15
    isopropyl myristate 2.78
    n-butyric acid 2.01
    acetyl acetate 1.5
    di(2-ethylhexyl) phthalate 3.07
    ethyl propionate 1.76
    nitromethane 5.76
    1,2-diethoxyethane 9.96
    benzonitrile 2.6
    trioctyl phosphate 2.06
    1-bromopropane 0.26
    gamma-valerolactone 12.12
    n-decanol 2.24
    triethyl phosphate 1.73
    4-methyl-2-pentanol 1.51
    propionitrile 1.73
    vinylene carbonate 2.25
    1,1,2-trichlorotrifluoroethane 6.03
    DMS 4.32
    cumene 0.83
    2-octanol 1.87
    2-hexanone 3.21
    octyl acetate 3.12
    limonene 1.31
    1,2-dimethoxyethane 16.01
    ethyl orthosilicate 1.94
    tributyl phosphate 2.29
    diacetone alcohol 9.56
    N,N-dimethylaniline 2.99
    acrylonitrile 3.24
    aniline 2.65
    1,3-propanediol 5.03
    bromobenzene 0.35
    dibromomethane 0.08
    1,1,2,2-tetrachloroethane 0.97
    2-methyl-cyclohexyl acetate 2.87
    tetrabutyl urea 4.35
    diisobutyl methanol 2.09
    2-phenylethanol 4.62
    styrene 0.92
    dioctyl adipate 4.31
    dimethyl sulfate 3.81
    ethyl butyrate 1.99
    methyl lactate 3.53
    butyl lactate 3.76
    diethyl carbonate 1.49
    propanediol butyl ether 7.2
    triethyl orthoformate 2.57
    p-tert-butyltoluene 1.37
    methyl 4-tert-butylbenzoate 7.42
    morpholine 9.3
    tert-butylamine 1.18
    n-dodecanol 1.76
    dimethoxymethane 12.23
    ethylene carbonate 1.57
    cyrene 7.17
    2-ethoxyethyl acetate 7.62
    2-ethylhexyl acetate 2.26
    1,2,4-trichlorobenzene 1.25
    4-methylpyridine 4.4
    dibutyl ether 3.41
    2,6-dimethyl-4-heptanol 2.09
    DEF 4.23
    dimethyl isosorbide 18.19
    tetrachloroethylene 0.51
    eugenol 8.23
    triacetin 6.21
    span 80 7.02
    1,4-butanediol 1.35
    1,1-dichloroethane 0.15
    2-methyl-1-pentanol 2.38
    methyl formate 2.83
    2-methyl-1-butanol 1.94
    n-decane 0.2
    butyronitrile 1.44
    3,7-dimethyl-1-octanol 2.96
    1-chlorooctane 1.0
    1-chlorotetradecane 0.6
    n-nonane 0.12
    undecane 0.17
    tert-butylcyclohexane 0.07
    cyclooctane 0.01
    cyclopentanol 1.77
    tetrahydropyran 4.01
    tert-amyl methyl ether 2.85
    2,5,8-trioxanonane 25.55
    1-hexene 0.11
    2-isopropoxyethanol 5.11
    2,2,2-trifluoroethanol 0.83
    methyl butyrate 2.29

    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