6-Hydroxyflavone

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  • Identifiers

    CAS number
    6665-83-4

    Molecular formula
    C15H10O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 56.18%
    Sweet 44.33%
    Fruity 38.1%
    Burnt 36.2%
    Balsamic 31.31%
    Bitter 30.24%
    Medicinal 30.02%
    Powdery 29.23%
    Vanilla 28.95%
    Coumarinic 28.5%

     

    Flavor
    Bitter 94.79%
    Very strong 20.59%
    Moth ball 20.21%
    Indole 20.21%
    Naphthelene 19.88%
    Nitrile 19.76%
    Lovage 19.49%
    Cedarleaf 19.06%
    Curry 18.97%
    Tarry 18.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.93 (weak base)

    Molecular weight
    238.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    473°C

    Flash point

    • 187.8 ˚C est.

  • Synonyms

    • 6-Hydroxyflavone
    • 6665-83-4
    • 6-hydroxy-2-phenylchromen-4-one
    • 6-Hydroxy-2-phenyl-4-benzopyrone
    • NSC-26744
    • 148S6Z78H6
    • DTXSID8022327
    • RefChem:543430
    • DTXCID202327
    • 229-704-8
    • 6-Hydroxy-2-phenyl-4H-chromen-4-one
    • 6-Monohydroxyflavone
    • 6-Hydroxy-2-phenyl-chromen-4-one
    • MLS000738065
    • 4H-1-Benzopyran-4-one, 6-hydroxy-2-phenyl-
    • MFCD00017329
    • CHEMBL138649
    • NSC26744
    • EINECS 229-704-8
    • NSC 26744
    • UNII-148S6Z78H6
    • 6-hydroxy-flavone
    • 6-Hydroxyflavone, 10
    • 6-Hydroxy-2-phenyl-4H-1-benzopyran-4-one
    • 6-Hydroxyflavone, 98%
    • 6-Hydroxyflavone (6-HF)
    • HYDROXYFLAVONE, 6-
    • FLAVONE, 6-HYDROXY-
    • BIDD:ER0190
    • SCHEMBL676594
    • MEGxp0_001697
    • orb1304820
    • SCHEMBL28100458
    • SCHEMBL29628861
    • ACon1_002026
    • CHEBI:34472
    • HMS2764K07
    • HMS3885I17
    • HY-N7110
    • BDBM50081950
    • s3634
    • SBB000766
    • AKOS002670169
    • CCG-214625
    • EBC-466046
    • FH67779
    • NCGC00179903-01
    • NCGC00179903-03
    • 6-Hydroxy-2-phenyl-4H-chromen-4-one #
    • AS-57550
    • PD001907
    • SMR000393737
    • 6-hydroxy-2-phenyl-4-oxo-4H-1-benzopyran
    • DB-054947
    • CS-0030698
    • H0851
    • NS00046378
    • ST50307711
    • 4H-1-Benzopyran-4-one,6-hydroxy-2-phenyl-
    • D90962
    • Q2817908
    • BRD-K04253610-001-01-6
    • 6665-83-4

  • Applications

    6-Hydroxyflavone (CAS 6665-83-4) is used as an intermediate in the synthesis of flavonoid derivatives for pharmaceutical and chemical research. It is employed as a fluorescent probe for metal ion sensing, notably for Zn2+ and Cd2+, in analytical chemistry. It also serves as a research reagent in photophysics and ESIPT-based studies of fluorescence and excited-state processes. Additionally, it can function as a ligand or building block in coordination chemistry and materials science, including metal-organic frameworks or polymer-supported systems where the flavone core provides chromophore and binding sites. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.02
    methanol 2.05
    isopropanol 1.48
    water 0.0
    ethyl acetate 2.24
    n-propanol 2.21
    acetone 5.43
    n-butanol 1.81
    acetonitrile 3.24
    DMF 14.15
    toluene 0.96
    isobutanol 1.55
    1,4-dioxane 15.52
    methyl acetate 6.15
    THF 33.4
    2-butanone 7.56
    n-pentanol 1.87
    sec-butanol 1.75
    n-hexane 0.0
    ethylene glycol 1.84
    NMP 3.66
    cyclohexane 0.01
    DMSO 37.72
    n-butyl acetate 3.96
    n-octanol 1.02
    chloroform 0.34
    n-propyl acetate 4.34
    acetic acid 4.68
    dichloromethane 1.18
    cyclohexanone 5.94
    propylene glycol 1.92
    isopropyl acetate 2.8
    DMAc 36.2
    2-ethoxyethanol 11.32
    isopentanol 2.54
    n-heptane 0.02
    ethyl formate 2.53
    1,2-dichloroethane 2.56
    n-hexanol 1.77
    2-methoxyethanol 18.31
    isobutyl acetate 3.73
    tetrachloromethane 0.03
    n-pentyl acetate 3.0
    transcutol 82.48
    n-heptanol 1.32
    ethylbenzene 1.01
    MIBK 4.03
    2-propoxyethanol 11.31
    tert-butanol 2.77
    MTBE 2.53
    2-butoxyethanol 7.18
    propionic acid 2.45
    o-xylene 0.82
    formic acid 2.2
    diethyl ether 1.25
    m-xylene 0.59
    p-xylene 1.35
    chlorobenzene 1.01
    dimethyl carbonate 3.76
    n-octane 0.02
    formamide 6.56
    cyclopentanone 7.98
    2-pentanone 3.15
    anisole 7.74
    cyclopentyl methyl ether 2.76
    gamma-butyrolactone 9.52
    1-methoxy-2-propanol 9.98
    pyridine 13.48
    3-pentanone 2.32
    furfural 13.17
    n-dodecane 0.07
    diethylene glycol 14.06
    diisopropyl ether 0.47
    tert-amyl alcohol 2.71
    acetylacetone 8.31
    n-hexadecane 0.09
    acetophenone 7.66
    methyl propionate 2.84
    isopentyl acetate 6.4
    trichloroethylene 4.95
    n-nonanol 1.43
    cyclohexanol 1.32
    benzyl alcohol 5.62
    2-ethylhexanol 1.9
    isooctanol 1.59
    dipropyl ether 2.2
    1,2-dichlorobenzene 1.49
    ethyl lactate 3.58
    propylene carbonate 4.35
    n-methylformamide 5.06
    2-pentanol 0.97
    n-pentane 0.0
    1-propoxy-2-propanol 7.76
    1-methoxy-2-propyl acetate 10.56
    2-(2-methoxypropoxy) propanol 15.09
    mesitylene 0.41
    ε-caprolactone 5.92
    p-cymene 1.38
    epichlorohydrin 25.89
    1,1,1-trichloroethane 0.52
    2-aminoethanol 3.12
    morpholine-4-carbaldehyde 17.24
    sulfolane 10.12
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 6.65
    n-hexyl acetate 3.68
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 19.08
    sec-butyl acetate 3.93
    tert-butyl acetate 5.51
    decalin 0.05
    glycerin 5.43
    diglyme 47.08
    acrylic acid 3.11
    isopropyl myristate 2.77
    n-butyric acid 2.77
    acetyl acetate 2.83
    di(2-ethylhexyl) phthalate 3.61
    ethyl propionate 3.65
    nitromethane 12.24
    1,2-diethoxyethane 15.38
    benzonitrile 4.97
    trioctyl phosphate 1.83
    1-bromopropane 0.44
    gamma-valerolactone 20.11
    n-decanol 1.24
    triethyl phosphate 3.9
    4-methyl-2-pentanol 1.25
    propionitrile 3.16
    vinylene carbonate 4.97
    1,1,2-trichlorotrifluoroethane 10.97
    DMS 7.01
    cumene 0.97
    2-octanol 0.81
    2-hexanone 5.09
    octyl acetate 2.79
    limonene 1.14
    1,2-dimethoxyethane 30.42
    ethyl orthosilicate 3.86
    tributyl phosphate 2.78
    diacetone alcohol 9.33
    N,N-dimethylaniline 4.57
    acrylonitrile 6.28
    aniline 2.72
    1,3-propanediol 5.57
    bromobenzene 0.75
    dibromomethane 0.31
    1,1,2,2-tetrachloroethane 3.17
    2-methyl-cyclohexyl acetate 5.31
    tetrabutyl urea 4.63
    diisobutyl methanol 1.95
    2-phenylethanol 5.82
    styrene 1.26
    dioctyl adipate 5.29
    dimethyl sulfate 6.3
    ethyl butyrate 4.0
    methyl lactate 4.24
    butyl lactate 3.92
    diethyl carbonate 3.6
    propanediol butyl ether 5.61
    triethyl orthoformate 4.6
    p-tert-butyltoluene 1.23
    methyl 4-tert-butylbenzoate 8.35
    morpholine 15.47
    tert-butylamine 0.91
    n-dodecanol 1.09
    dimethoxymethane 13.91
    ethylene carbonate 3.37
    cyrene 9.0
    2-ethoxyethyl acetate 9.07
    2-ethylhexyl acetate 4.38
    1,2,4-trichlorobenzene 2.86
    4-methylpyridine 6.49
    dibutyl ether 3.04
    2,6-dimethyl-4-heptanol 1.95
    DEF 5.35
    dimethyl isosorbide 26.28
    tetrachloroethylene 1.44
    eugenol 9.54
    triacetin 8.04
    span 80 6.76
    1,4-butanediol 1.92
    1,1-dichloroethane 0.44
    2-methyl-1-pentanol 3.0
    methyl formate 4.08
    2-methyl-1-butanol 2.17
    n-decane 0.08
    butyronitrile 2.52
    3,7-dimethyl-1-octanol 2.12
    1-chlorooctane 0.61
    1-chlorotetradecane 0.42
    n-nonane 0.04
    undecane 0.08
    tert-butylcyclohexane 0.06
    cyclooctane 0.0
    cyclopentanol 1.47
    tetrahydropyran 4.52
    tert-amyl methyl ether 2.4
    2,5,8-trioxanonane 34.77
    1-hexene 0.09
    2-isopropoxyethanol 7.57
    2,2,2-trifluoroethanol 1.49
    methyl butyrate 4.75

    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