7-Hydroxyflavone

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  • Identifiers

    CAS number
    6665-86-7

    Molecular formula
    C15H10O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 56.42%
    Sweet 43.23%
    Burnt 34.42%
    Balsamic 32.44%
    Medicinal 30.96%
    Coumarinic 29.64%
    Nutty 29.61%
    Bitter 28.75%
    Coconut 28.59%
    Animal 28.44%

     

    Flavor
    Bitter 92.86%
    Very strong 21.02%
    Moth ball 20.8%
    Tonka 20.64%
    Indole 20.62%
    Naphthelene 20.48%
    Nitrile 20.24%
    Lovage 19.93%
    Cedarleaf 19.54%
    Tar 19.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.38 (weak base)

    Molecular weight
    238.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    477°C

    Flash point

    • 176.72 ˚C est.

  • Synonyms

    • 7-Hydroxyflavone
    • 6665-86-7
    • 7-Hydroxy-2-phenyl-4H-chromen-4-one
    • 7-hydroxy-2-phenylchromen-4-one
    • 4H-1-Benzopyran-4-one, 7-hydroxy-2-phenyl-
    • 7-Hydroxy-2-phenyl-4-benzopyrone
    • 7-Hydroxy-2-phenyl-chromen-4-one
    • 7-hydroxy flavone
    • NSC-94258
    • ZE72458E4L
    • CHEBI:2268
    • DTXSID3022328
    • RefChem:546585
    • DTXCID602328
    • 229-705-3
    • 2-Phenyl-chromen-4-one
    • Flavone, 7-hydroxy-
    • MFCD00006835
    • 4H-1-Benzopyran-4-one, 7-hydroxy-
    • 7-Hydroxy-2-phenyl-4H-1-benzopyran-4-one
    • MLS002695239
    • CHEMBL276915
    • NSC94258
    • SR-01000359106
    • EINECS 229-705-3
    • NSC 94258
    • UNII-ZE72458E4L
    • 7-Hydroxyflavone, 11
    • 7-Hydroxy-flavone, 5a
    • 7-Hydroxy-2-phenylchromone
    • HYDROXYFLAVONE, 7-
    • 7-Hydroxyflavone (Standard)
    • Oprea1_774070
    • 7-Hydroxyflavone, >=98%
    • BIDD:ER0599
    • SCHEMBL312148
    • MEGxp0_001698
    • orb1299791
    • SCHEMBL21683048
    • SCHEMBL29678183
    • ACon1_000093
    • BDBM26664
    • HY-N7108R
    • HY-N7108
    • BBL100067
    • s5380
    • SBB005921
    • STL511043
    • AKOS000599907
    • CCG-208393
    • EBC-436046
    • FH52503
    • NCGC00163568-01
    • NCGC00163568-02
    • NCGC00168801-01
    • 7-Hydroxy-2-phenyl-4H-chromen-4-one #
    • AS-19983
    • SMR000112319
    • ST026594
    • SY048832
    • SBI-0207061.P001
    • 7--HYDROXY-2-PHENYL-4-BENZOPYRONE
    • DB-054948
    • CS-0081150
    • H0852
    • NS00046379
    • A12739
    • H-5100
    • SR-01000359106-1
    • SR-01000359106-3
    • BRD-K56450366-001-01-1
    • BRD-K56450366-001-03-7
    • Q27105601
    • 6665-86-7

  • Applications

    7-Hydroxyflavone (CAS 6665-86-7) is used as an intermediate in the synthesis of flavone derivatives for pharmaceutical research and medicinal chemistry; it provides a versatile scaffold for generating related flavone compounds. In analytical chemistry, it is employed as a fluorescent probe and reference material for spectroscopic methods and quantitative analyses. In cosmetics and personal care, it may be evaluated as a cosmetic ingredient or intermediate with potential antioxidant activity. In the polymers and coatings sector, it serves as a building block for dye synthesis and functional additives in plastics, paints, and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.45
    methanol 2.66
    isopropanol 2.01
    water 0.01
    ethyl acetate 3.06
    n-propanol 2.88
    acetone 10.47
    n-butanol 2.53
    acetonitrile 3.79
    DMF 54.53
    toluene 1.3
    isobutanol 2.25
    1,4-dioxane 26.47
    methyl acetate 8.44
    THF 77.22
    2-butanone 11.09
    n-pentanol 2.66
    sec-butanol 2.18
    n-hexane 0.0
    ethylene glycol 5.22
    NMP 35.31
    cyclohexane 0.01
    DMSO 188.38
    n-butyl acetate 6.4
    n-octanol 1.28
    chloroform 0.28
    n-propyl acetate 7.04
    acetic acid 10.91
    dichloromethane 0.78
    cyclohexanone 16.11
    propylene glycol 6.32
    isopropyl acetate 4.27
    DMAc 77.3
    2-ethoxyethanol 18.28
    isopentanol 3.83
    n-heptane 0.02
    ethyl formate 3.91
    1,2-dichloroethane 2.75
    n-hexanol 2.05
    2-methoxyethanol 42.03
    isobutyl acetate 5.43
    tetrachloromethane 0.04
    n-pentyl acetate 4.44
    transcutol 273.83
    n-heptanol 1.75
    ethylbenzene 0.79
    MIBK 6.33
    2-propoxyethanol 21.12
    tert-butanol 3.89
    MTBE 2.7
    2-butoxyethanol 11.6
    propionic acid 6.22
    o-xylene 0.92
    formic acid 5.23
    diethyl ether 1.16
    m-xylene 0.85
    p-xylene 1.21
    chlorobenzene 1.69
    dimethyl carbonate 7.06
    n-octane 0.01
    formamide 17.21
    cyclopentanone 33.98
    2-pentanone 5.1
    anisole 8.71
    cyclopentyl methyl ether 6.82
    gamma-butyrolactone 40.19
    1-methoxy-2-propanol 26.19
    pyridine 21.98
    3-pentanone 3.15
    furfural 40.27
    n-dodecane 0.06
    diethylene glycol 28.19
    diisopropyl ether 0.53
    tert-amyl alcohol 3.53
    acetylacetone 18.26
    n-hexadecane 0.07
    acetophenone 11.55
    methyl propionate 5.08
    isopentyl acetate 8.49
    trichloroethylene 6.7
    n-nonanol 1.7
    cyclohexanol 2.75
    benzyl alcohol 9.54
    2-ethylhexanol 2.27
    isooctanol 2.09
    dipropyl ether 2.66
    1,2-dichlorobenzene 2.01
    ethyl lactate 7.92
    propylene carbonate 14.0
    n-methylformamide 13.9
    2-pentanol 1.32
    n-pentane 0.0
    1-propoxy-2-propanol 15.09
    1-methoxy-2-propyl acetate 18.8
    2-(2-methoxypropoxy) propanol 26.88
    mesitylene 0.53
    ε-caprolactone 17.14
    p-cymene 1.42
    epichlorohydrin 62.43
    1,1,1-trichloroethane 0.61
    2-aminoethanol 6.82
    morpholine-4-carbaldehyde 58.7
    sulfolane 64.46
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 15.63
    n-hexyl acetate 5.71
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 37.24
    sec-butyl acetate 5.34
    tert-butyl acetate 8.26
    decalin 0.05
    glycerin 19.41
    diglyme 87.39
    acrylic acid 9.82
    isopropyl myristate 3.38
    n-butyric acid 6.02
    acetyl acetate 4.85
    di(2-ethylhexyl) phthalate 5.69
    ethyl propionate 5.15
    nitromethane 32.6
    1,2-diethoxyethane 23.44
    benzonitrile 7.76
    trioctyl phosphate 2.9
    1-bromopropane 0.37
    gamma-valerolactone 64.17
    n-decanol 1.46
    triethyl phosphate 6.13
    4-methyl-2-pentanol 1.93
    propionitrile 3.06
    vinylene carbonate 12.88
    1,1,2-trichlorotrifluoroethane 34.15
    DMS 13.41
    cumene 0.84
    2-octanol 0.97
    2-hexanone 7.41
    octyl acetate 3.79
    limonene 1.52
    1,2-dimethoxyethane 41.48
    ethyl orthosilicate 5.43
    tributyl phosphate 4.34
    diacetone alcohol 19.34
    N,N-dimethylaniline 5.65
    acrylonitrile 7.74
    aniline 5.74
    1,3-propanediol 11.94
    bromobenzene 1.04
    dibromomethane 0.25
    1,1,2,2-tetrachloroethane 4.59
    2-methyl-cyclohexyl acetate 8.04
    tetrabutyl urea 6.6
    diisobutyl methanol 2.39
    2-phenylethanol 8.05
    styrene 1.09
    dioctyl adipate 8.43
    dimethyl sulfate 18.99
    ethyl butyrate 6.27
    methyl lactate 11.39
    butyl lactate 7.81
    diethyl carbonate 5.27
    propanediol butyl ether 13.53
    triethyl orthoformate 7.47
    p-tert-butyltoluene 1.31
    methyl 4-tert-butylbenzoate 12.47
    morpholine 36.96
    tert-butylamine 1.14
    n-dodecanol 1.22
    dimethoxymethane 25.19
    ethylene carbonate 8.14
    cyrene 21.92
    2-ethoxyethyl acetate 14.69
    2-ethylhexyl acetate 5.98
    1,2,4-trichlorobenzene 4.39
    4-methylpyridine 13.11
    dibutyl ether 3.38
    2,6-dimethyl-4-heptanol 2.39
    DEF 11.12
    dimethyl isosorbide 44.9
    tetrachloroethylene 1.8
    eugenol 14.83
    triacetin 16.75
    span 80 15.18
    1,4-butanediol 3.71
    1,1-dichloroethane 0.49
    2-methyl-1-pentanol 4.35
    methyl formate 10.78
    2-methyl-1-butanol 3.08
    n-decane 0.06
    butyronitrile 2.77
    3,7-dimethyl-1-octanol 2.55
    1-chlorooctane 0.54
    1-chlorotetradecane 0.36
    n-nonane 0.03
    undecane 0.06
    tert-butylcyclohexane 0.07
    cyclooctane 0.01
    cyclopentanol 4.29
    tetrahydropyran 7.43
    tert-amyl methyl ether 2.95
    2,5,8-trioxanonane 57.82
    1-hexene 0.08
    2-isopropoxyethanol 12.76
    2,2,2-trifluoroethanol 3.85
    methyl butyrate 7.87

    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