Tricetin

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  • Identifiers

    CAS number
    520-31-0

    Molecular formula
    C15H10O7

    SMILES
    C1=C(C=C(C(=C1O)O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 68.44%
    Phenolic 51.43%
    Burnt 33.81%
    Smoky 21.84%
    Medicinal 20.99%
    Savory 18.42%
    Spicy 17.55%
    Bitter 15.53%
    Balsamic 15.05%
    Animal 14.74%

     

    Flavor
    Bitter 93.22%
    Odorless 27.52%
    Sweet-like 21.88%
    Bland 21.28%
    Cedarleaf 20.63%
    Mild 20.36%
    Very strong 20.3%
    Indole 20.21%
    Nitrile 20.2%
    Rotten 20.16%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    10.36 (weak base)

    Molecular weight
    302.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    845°C

    Melting point expt.

    • 330 °C

    Flash point

    • 251.95 ˚C est.

  • Synonyms

    • Tricetin
    • 520-31-0
    • 5,7,3',4',5'-Pentahydroxyflavone
    • 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
    • 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
    • 5627PY99ZO
    • 3',4',5,5',7-pentahydroxyflavone
    • CHEBI:507499
    • DTXSID60199964
    • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-
    • RefChem:899181
    • DTXCID20122455
    • Hieracin
    • 5,7,3,4,5-pentahydroxyflavone
    • C10192
    • 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
    • MYF
    • UNII-5627PY99ZO
    • Spectrum_001591
    • SpecPlus_000826
    • Spectrum2_000741
    • Spectrum3_001617
    • Spectrum4_001678
    • Spectrum5_000615
    • BSPBio_003253
    • KBioGR_002235
    • KBioSS_002071
    • DivK1c_006922
    • SCHEMBL158384
    • SPECTRUM1504115
    • SPBio_000722
    • CHEMBL247484
    • orb1681543
    • BDBM26656
    • KBio1_001866
    • KBio2_002071
    • KBio2_004639
    • KBio2_007207
    • KBio3_002473
    • 2o65
    • ARSRJFRKVXALTF-UHFFFAOYSA-N
    • GLXC-10938
    • CCG-40135
    • LMPK12110847
    • MFCD00210581
    • MSK158906
    • AKOS024287743
    • DB08230
    • EBC-383064
    • FT67044
    • SDCCGMLS-0066804.P001
    • NCGC00095682-01
    • NCGC00095682-02
    • NCGC00178184-01
    • BP-10199
    • MS-24353
    • DS-016931
    • HY-131592
    • CS-0137311
    • NS00015068
    • ST50309243
    • H40515
    • AR-683/41530196
    • SR-05000002560
    • SR-05000002560-1
    • BRD-K22585547-001-03-3
    • Q15303946
    • Z1980554244
    • 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one, 9CI
    • 2-(3,4,5-TRIHYDROXYPHENYL)-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE; PENTAHYDROXYFLAVONE
    • TricetinHieracin; 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one; 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
    • Tricetin

  • Applications

    Tricetin (CAS 520-31-0) is a polyhydroxyflavone primarily used as a synthetic intermediate and research reagent in flavonoid chemistry, and as a building block in pharmaceutical and agrochemical development. It is commonly evaluated for antioxidant activity and may be incorporated as an antioxidant or stabilizing additive in cosmetic and personal care formulations. In materials science, tricetin has been investigated for UV-absorption properties and as a functional additive in polymers, coatings, and related formulations. It also serves as a reference standard and analytical sample in pharmaceutical and analytical chemistry workflows. In agrochemical research, tricetin is studied as a potential lead scaffold for new bioactive compounds. These applications are typically exploratory and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.45
    methanol 6.63
    isopropanol 7.8
    water 0.01
    ethyl acetate 4.38
    n-propanol 12.48
    acetone 0.03
    n-butanol 12.25
    acetonitrile 0.14
    DMF 27.59
    toluene 0.02
    isobutanol 3.69
    1,4-dioxane 1.62
    methyl acetate 1.64
    THF 23.88
    2-butanone 3.34
    n-pentanol 2.7
    sec-butanol 14.74
    n-hexane 0.0
    ethylene glycol 7.32
    NMP 28.92
    cyclohexane 0.0
    DMSO 146.56
    n-butyl acetate 1.7
    n-octanol 0.76
    chloroform 0.0
    n-propyl acetate 1.59
    acetic acid 1.88
    dichloromethane 0.0
    cyclohexanone 2.39
    propylene glycol 12.08
    isopropyl acetate 2.34
    DMAc 57.62
    2-ethoxyethanol 46.62
    isopentanol 6.29
    n-heptane 0.01
    ethyl formate 1.2
    1,2-dichloroethane 0.0
    n-hexanol 1.57
    2-methoxyethanol 157.6
    isobutyl acetate 0.25
    tetrachloromethane 0.0
    n-pentyl acetate 0.93
    transcutol 28.44
    n-heptanol 1.15
    ethylbenzene 0.02
    MIBK 1.63
    2-propoxyethanol 39.21
    tert-butanol 6.27
    MTBE 1.34
    2-butoxyethanol 10.78
    propionic acid 4.03
    o-xylene 0.04
    formic acid 4.38
    diethyl ether 0.88
    m-xylene 0.03
    p-xylene 0.02
    chlorobenzene 0.0
    dimethyl carbonate 1.83
    n-octane 0.0
    formamide 11.3
    cyclopentanone 6.13
    2-pentanone 3.38
    anisole 0.33
    cyclopentyl methyl ether 3.12
    gamma-butyrolactone 11.44
    1-methoxy-2-propanol 140.65
    pyridine 0.46
    3-pentanone 1.34
    furfural 4.6
    n-dodecane 0.01
    diethylene glycol 38.8
    diisopropyl ether 0.17
    tert-amyl alcohol 10.83
    acetylacetone 2.77
    n-hexadecane 0.01
    acetophenone 0.54
    methyl propionate 7.4
    isopentyl acetate 1.28
    trichloroethylene 0.0
    n-nonanol 0.94
    cyclohexanol 2.43
    benzyl alcohol 0.66
    2-ethylhexanol 0.76
    isooctanol 0.84
    dipropyl ether 1.49
    1,2-dichlorobenzene 0.0
    ethyl lactate 5.35
    propylene carbonate 1.84
    n-methylformamide 14.23
    2-pentanol 6.33
    n-pentane 0.0
    1-propoxy-2-propanol 25.5
    1-methoxy-2-propyl acetate 8.34
    2-(2-methoxypropoxy) propanol 11.24
    mesitylene 0.02
    ε-caprolactone 6.06
    p-cymene 0.06
    epichlorohydrin 3.71
    1,1,1-trichloroethane 0.0
    2-aminoethanol 20.16
    morpholine-4-carbaldehyde 27.13
    sulfolane 38.28
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 6.39
    n-hexyl acetate 1.25
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 16.31
    sec-butyl acetate 1.09
    tert-butyl acetate 2.69
    decalin 0.0
    glycerin 45.22
    diglyme 22.94
    acrylic acid 2.59
    isopropyl myristate 0.58
    n-butyric acid 8.25
    acetyl acetate 0.46
    di(2-ethylhexyl) phthalate 0.58
    ethyl propionate 2.77
    nitromethane 3.96
    1,2-diethoxyethane 2.71
    benzonitrile 0.12
    trioctyl phosphate 0.66
    1-bromopropane 0.01
    gamma-valerolactone 26.9
    n-decanol 0.67
    triethyl phosphate 1.04
    4-methyl-2-pentanol 1.62
    propionitrile 0.62
    vinylene carbonate 0.67
    1,1,2-trichlorotrifluoroethane 7.29
    DMS 1.0
    cumene 0.02
    2-octanol 0.7
    2-hexanone 1.37
    octyl acetate 0.86
    limonene 0.1
    1,2-dimethoxyethane 26.38
    ethyl orthosilicate 0.93
    tributyl phosphate 0.71
    diacetone alcohol 22.14
    N,N-dimethylaniline 0.29
    acrylonitrile 0.9
    aniline 0.25
    1,3-propanediol 52.55
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.01
    2-methyl-cyclohexyl acetate 0.79
    tetrabutyl urea 1.41
    diisobutyl methanol 0.64
    2-phenylethanol 0.75
    styrene 0.01
    dioctyl adipate 1.06
    dimethyl sulfate 5.35
    ethyl butyrate 2.22
    methyl lactate 19.22
    butyl lactate 3.32
    diethyl carbonate 0.83
    propanediol butyl ether 9.1
    triethyl orthoformate 1.98
    p-tert-butyltoluene 0.07
    methyl 4-tert-butylbenzoate 2.03
    morpholine 15.07
    tert-butylamine 0.72
    n-dodecanol 0.43
    dimethoxymethane 19.85
    ethylene carbonate 0.65
    cyrene 9.51
    2-ethoxyethyl acetate 2.17
    2-ethylhexyl acetate 0.72
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.42
    dibutyl ether 0.69
    2,6-dimethyl-4-heptanol 0.64
    DEF 13.05
    dimethyl isosorbide 14.59
    tetrachloroethylene 0.01
    eugenol 2.96
    triacetin 1.81
    span 80 5.49
    1,4-butanediol 6.12
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 1.98
    methyl formate 2.78
    2-methyl-1-butanol 7.35
    n-decane 0.01
    butyronitrile 0.73
    3,7-dimethyl-1-octanol 0.75
    1-chlorooctane 0.05
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 4.68
    tetrahydropyran 1.18
    tert-amyl methyl ether 2.8
    2,5,8-trioxanonane 16.83
    1-hexene 0.02
    2-isopropoxyethanol 14.36
    2,2,2-trifluoroethanol 0.69
    methyl butyrate 3.62

    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