Flavonol

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  • Identifiers

    CAS number
    577-85-5

    Molecular formula
    C15H10O3

    SMILES
    C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 53.58%
    Phenolic 45.77%
    Burnt 40.44%
    Sweet 39.5%
    Balsamic 30.0%
    Berry 29.58%
    Bitter 28.25%
    Caramellic 27.28%
    Powdery 26.49%
    Spicy 25.85%

     

    Flavor
    Bitter 93.27%
    Very strong 21.03%
    Indole 20.51%
    Moth ball 20.35%
    Naphthelene 20.18%
    Nitrile 19.95%
    Lovage 19.69%
    Tar 19.67%
    Naphthalic 19.56%
    Curry 19.41%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.31 (weak base)

    Molecular weight
    238.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    499°C

    Melting point expt.

    • 171 to 172 °C
    • MP: 169.5 °C
    • 170 °C

    Flash point

    • 170.42 ˚C est.

    Solubility expt.

    • Soluble in ethanol

  • Synonyms

    • 3-Hydroxyflavone
    • Flavonol
    • 577-85-5
    • 3-Hydroxy-2-phenyl-4H-chromen-4-one
    • Flavon-3-ol
    • 4H-1-Benzopyran-4-one, 3-hydroxy-2-phenyl-
    • 3-Hydroxy-2-phenylchromone
    • 3-hydroxy-2-phenylchromen-4-one
    • FLAVONE, 3-HYDROXY-
    • ZTG9LSS5QH
    • 3-hydroxy-2-phenyl-4H-1-benzopyran-4-one
    • NSC-57653
    • CHEBI:5078
    • DTXSID4060365
    • NSC-58585
    • NSC-58586
    • NSC-58587
    • RefChem:502555
    • DTXCID9042253
    • CHEBI:28802
    • 209-416-9
    • MFCD00006832
    • 3-hydroxy-2-phenyl-chromen-4-one
    • NSC57653
    • CHEMBL294009
    • flavonols
    • FLAVONE,3-HYDROXY-
    • NSC58585
    • 3-HF
    • SR-01000401360
    • UNII-ZTG9LSS5QH
    • EINECS 209-416-9
    • NSC 57653
    • NSC 58585
    • 3-hydroxyflavon
    • HSDB 7572
    • Spectrum_000328
    • SpecPlus_000831
    • Spectrum2_001392
    • Spectrum3_001432
    • Spectrum4_001845
    • Spectrum5_000350
    • Oprea1_038914
    • Oprea1_692205
    • SCHEMBL20246
    • 3-Hydroxyflavone, >=98%
    • BSPBio_003164
    • KBioGR_002250
    • KBioSS_000808
    • MLS002207277
    • BIDD:ER0553
    • DivK1c_006927
    • SPECTRUM1501012
    • SPBio_001404
    • F0013-0884
    • MEGxp0_001695
    • orb1304859
    • SCHEMBL4634257
    • 3-HYDROXYFLAVONE [HSDB]
    • SCHEMBL15263928
    • SCHEMBL29433939
    • ACon1_000167
    • KBio1_001871
    • KBio2_000808
    • KBio2_003376
    • KBio2_005944
    • KBio3_002384
    • HMS3740M15
    • KUC106685N
    • WLN: T66 BO EVJ CR& DQ
    • BDBM50187668
    • CCG-38858
    • NCI-57653
    • s4790
    • SBB000767
    • AKOS000599906
    • EBC-437043
    • FH52495
    • SDCCGMLS-0066736.P001
    • NCGC00095653-01
    • NCGC00095653-02
    • NCGC00095653-03
    • 3-Hydroxy-2-phenyl-4H-chromen-4-one #
    • AS-19638
    • SMR000112317
    • ST086622
    • SY048803
    • KSC-11-207-16
    • DB-053103
    • HY-107825
    • CS-0030701
    • EU-0001678
    • H0379
    • NS00043440
    • VU0053575-3
    • C01495
    • D71219
    • 3-Hydroxy-2-phenyl-4H-1-benzopyran-4-one, 9CI
    • F463648
    • Q5919049
    • SR-01000401360-1
    • SR-01000401360-2
    • BRD-K55150756-001-05-7
    • B48D3495-6D21-4742-8A87-D3DE07DC9554
    • 577-85-5

  • Applications

    Flavonol, a natural polyphenol, is commonly evaluated as an antioxidant additive in foods and beverages and as a stabilizer in cosmetics and personal care formulations. It can act as a natural colorant or pigment in foods and cosmetic products. In polymers, plastics, coatings and inks, flavonol may serve as an antioxidant stabilizer and metal chelator to improve aging resistance. It can function as a chelating agent in various formulations. It is often used as an intermediate in organic synthesis for pharmaceutical or agrochemical research, depending on formulation requirements and local regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.62
    methanol 1.35
    isopropanol 1.32
    water 0.0
    ethyl acetate 3.64
    n-propanol 1.74
    acetone 7.76
    n-butanol 1.65
    acetonitrile 2.03
    DMF 28.17
    toluene 5.2
    isobutanol 1.36
    1,4-dioxane 10.64
    methyl acetate 5.44
    THF 30.18
    2-butanone 7.98
    n-pentanol 1.78
    sec-butanol 1.47
    n-hexane 0.11
    ethylene glycol 0.84
    NMP 16.38
    cyclohexane 0.24
    DMSO 13.76
    n-butyl acetate 5.46
    n-octanol 3.87
    chloroform 3.08
    n-propyl acetate 4.53
    acetic acid 4.62
    dichloromethane 6.44
    cyclohexanone 13.01
    propylene glycol 0.78
    isopropyl acetate 4.25
    DMAc 30.47
    2-ethoxyethanol 4.55
    isopentanol 2.36
    n-heptane 0.43
    ethyl formate 3.08
    1,2-dichloroethane 9.94
    n-hexanol 3.3
    2-methoxyethanol 8.32
    isobutyl acetate 4.04
    tetrachloromethane 0.28
    n-pentyl acetate 8.23
    transcutol 54.44
    n-heptanol 4.09
    ethylbenzene 3.61
    MIBK 6.28
    2-propoxyethanol 7.67
    tert-butanol 2.83
    MTBE 3.63
    2-butoxyethanol 9.94
    propionic acid 2.58
    o-xylene 3.86
    formic acid 1.57
    diethyl ether 2.98
    m-xylene 3.71
    p-xylene 4.1
    chlorobenzene 4.85
    dimethyl carbonate 5.32
    n-octane 0.42
    formamide 4.92
    cyclopentanone 19.76
    2-pentanone 5.9
    anisole 6.84
    cyclopentyl methyl ether 7.57
    gamma-butyrolactone 18.52
    1-methoxy-2-propanol 6.46
    pyridine 18.26
    3-pentanone 5.05
    furfural 23.42
    n-dodecane 0.52
    diethylene glycol 6.9
    diisopropyl ether 1.53
    tert-amyl alcohol 2.8
    acetylacetone 12.01
    n-hexadecane 0.62
    acetophenone 9.33
    methyl propionate 4.7
    isopentyl acetate 7.36
    trichloroethylene 18.89
    n-nonanol 4.59
    cyclohexanol 2.54
    benzyl alcohol 5.62
    2-ethylhexanol 3.5
    isooctanol 4.25
    dipropyl ether 4.18
    1,2-dichlorobenzene 5.31
    ethyl lactate 3.05
    propylene carbonate 8.14
    n-methylformamide 5.58
    2-pentanol 1.34
    n-pentane 0.12
    1-propoxy-2-propanol 6.52
    1-methoxy-2-propyl acetate 9.21
    2-(2-methoxypropoxy) propanol 13.53
    mesitylene 2.42
    ε-caprolactone 9.56
    p-cymene 3.57
    epichlorohydrin 28.99
    1,1,1-trichloroethane 2.86
    2-aminoethanol 1.48
    morpholine-4-carbaldehyde 20.92
    sulfolane 20.48
    2,2,4-trimethylpentane 0.27
    2-methyltetrahydrofuran 9.32
    n-hexyl acetate 9.89
    isooctane 0.21
    2-(2-butoxyethoxy)ethanol 18.89
    sec-butyl acetate 3.91
    tert-butyl acetate 7.06
    decalin 0.44
    glycerin 2.51
    diglyme 43.65
    acrylic acid 3.91
    isopropyl myristate 5.07
    n-butyric acid 3.55
    acetyl acetate 3.94
    di(2-ethylhexyl) phthalate 5.72
    ethyl propionate 3.94
    nitromethane 10.91
    1,2-diethoxyethane 14.29
    benzonitrile 7.35
    trioctyl phosphate 3.84
    1-bromopropane 2.7
    gamma-valerolactone 24.29
    n-decanol 3.6
    triethyl phosphate 4.03
    4-methyl-2-pentanol 1.83
    propionitrile 2.95
    vinylene carbonate 8.61
    1,1,2-trichlorotrifluoroethane 13.13
    DMS 10.49
    cumene 2.98
    2-octanol 3.24
    2-hexanone 6.45
    octyl acetate 5.74
    limonene 3.78
    1,2-dimethoxyethane 16.77
    ethyl orthosilicate 3.97
    tributyl phosphate 4.36
    diacetone alcohol 10.05
    N,N-dimethylaniline 5.96
    acrylonitrile 6.21
    aniline 5.02
    1,3-propanediol 2.74
    bromobenzene 4.52
    dibromomethane 3.06
    1,1,2,2-tetrachloroethane 11.9
    2-methyl-cyclohexyl acetate 6.46
    tetrabutyl urea 7.64
    diisobutyl methanol 3.43
    2-phenylethanol 8.49
    styrene 3.68
    dioctyl adipate 8.17
    dimethyl sulfate 8.67
    ethyl butyrate 4.62
    methyl lactate 4.06
    butyl lactate 6.51
    diethyl carbonate 3.73
    propanediol butyl ether 7.94
    triethyl orthoformate 4.64
    p-tert-butyltoluene 3.32
    methyl 4-tert-butylbenzoate 13.81
    morpholine 10.82
    tert-butylamine 1.6
    n-dodecanol 2.83
    dimethoxymethane 15.17
    ethylene carbonate 5.63
    cyrene 10.41
    2-ethoxyethyl acetate 13.1
    2-ethylhexyl acetate 5.67
    1,2,4-trichlorobenzene 7.03
    4-methylpyridine 10.73
    dibutyl ether 6.66
    2,6-dimethyl-4-heptanol 3.43
    DEF 8.67
    dimethyl isosorbide 25.85
    tetrachloroethylene 7.37
    eugenol 14.45
    triacetin 11.29
    span 80 9.2
    1,4-butanediol 1.02
    1,1-dichloroethane 3.0
    2-methyl-1-pentanol 2.94
    methyl formate 5.77
    2-methyl-1-butanol 1.98
    n-decane 0.82
    butyronitrile 2.48
    3,7-dimethyl-1-octanol 4.38
    1-chlorooctane 3.18
    1-chlorotetradecane 1.61
    n-nonane 0.62
    undecane 0.64
    tert-butylcyclohexane 0.45
    cyclooctane 0.16
    cyclopentanol 2.85
    tetrahydropyran 7.43
    tert-amyl methyl ether 3.61
    2,5,8-trioxanonane 30.3
    1-hexene 0.9
    2-isopropoxyethanol 4.54
    2,2,2-trifluoroethanol 1.78
    methyl butyrate 5.62

    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