3',4',7-Trihydroxyflavanone

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  • Identifiers

    CAS number
    21913-99-5

    Molecular formula
    C15H12O5

    SMILES
    C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O

  • Odor profile

    Fragrance
    Phenolic 62.01%
    Odorless 52.18%
    Vanilla 40.48%
    Burnt 36.22%
    Spicy 35.51%
    Smoky 30.42%
    Sweet 27.96%
    Medicinal 27.19%
    Balsamic 26.46%
    Creamy 24.53%

     

    Flavor
    Bitter 94.75%
    Sweet-like 20.91%
    Lovage 20.39%
    Cedarleaf 20.09%
    Parsley 19.55%
    Bland 19.41%
    Very strong 19.27%
    Eugenol 19.19%
    Nitrile 19.11%
    Indole 19.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    10.63 (weak base)

    Molecular weight
    272.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    621°C

    Flash point

    • 236.59 ˚C est.

  • Synonyms

    • 21913-99-5
    • 3',4',7-Trihydroxyflavanone
    • 2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one
    • 2-(3,4-Dihydroxyphenyl)-7-hydroxychroman-4-one
    • MEGxp0_000004
    • SCHEMBL5504140
    • CHEMBL3401430
    • ACon1_000269
    • HY-N6020B
    • CHEBI:183341
    • DTXSID301162721
    • AKOS040732682
    • NCGC00180724-01
    • MS-23848
    • CS-0106898
    • G61000
    • BRD-A75085792-001-01-8
    • B2703-142961
    • 2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one
    • 2-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one

  • Applications

    3',4',7-Trihydroxyflavanone (CAS 21913-99-5) is primarily used as an intermediate and building block in organic synthesis, especially for flavonoid-derived compounds and related chemistries. In pharmaceutical research and development, it may serve as a precursor or scaffold for APIs and activity-oriented analogs. Due to its multiple phenolic OH groups, it is commonly evaluated as an antioxidant and potential stabilizer in cosmetic and personal care formulations. It can also function as a stabilizer or antioxidant additive in polymers, plastics, and coatings to improve oxidative resistance. In agrochemical development, it is used as a synthetic intermediate for crop protection compounds. In a research setting, it may be used as an analytical standard or reference reagent for chemical assays and method development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.58
    methanol 26.73
    isopropanol 27.1
    water 0.38
    ethyl acetate 29.41
    n-propanol 14.23
    acetone 78.68
    n-butanol 13.22
    acetonitrile 36.9
    DMF 123.89
    toluene 1.19
    isobutanol 9.6
    1,4-dioxane 121.57
    methyl acetate 43.95
    THF 293.6
    2-butanone 62.96
    n-pentanol 10.08
    sec-butanol 17.65
    n-hexane 0.02
    ethylene glycol 32.46
    NMP 21.69
    cyclohexane 0.05
    DMSO 384.05
    n-butyl acetate 10.13
    n-octanol 6.28
    chloroform 0.27
    n-propyl acetate 17.17
    acetic acid 44.38
    dichloromethane 0.26
    cyclohexanone 35.29
    propylene glycol 31.77
    isopropyl acetate 26.03
    DMAc 200.21
    2-ethoxyethanol 147.37
    isopentanol 17.4
    n-heptane 0.19
    ethyl formate 17.96
    1,2-dichloroethane 1.08
    n-hexanol 5.84
    2-methoxyethanol 235.2
    isobutyl acetate 8.09
    tetrachloromethane 0.13
    n-pentyl acetate 9.05
    transcutol 230.14
    n-heptanol 6.61
    ethylbenzene 0.9
    MIBK 25.95
    2-propoxyethanol 75.21
    tert-butanol 64.63
    MTBE 18.71
    2-butoxyethanol 31.83
    propionic acid 22.02
    o-xylene 1.46
    formic acid 38.0
    diethyl ether 9.45
    m-xylene 1.41
    p-xylene 1.27
    chlorobenzene 0.83
    dimethyl carbonate 34.65
    n-octane 0.13
    formamide 127.32
    cyclopentanone 58.54
    2-pentanone 37.6
    anisole 14.46
    cyclopentyl methyl ether 21.46
    gamma-butyrolactone 69.68
    1-methoxy-2-propanol 170.11
    pyridine 16.53
    3-pentanone 18.93
    furfural 42.53
    n-dodecane 0.26
    diethylene glycol 101.17
    diisopropyl ether 3.24
    tert-amyl alcohol 27.98
    acetylacetone 94.46
    n-hexadecane 0.31
    acetophenone 14.76
    methyl propionate 33.48
    isopentyl acetate 11.89
    trichloroethylene 2.74
    n-nonanol 7.31
    cyclohexanol 11.15
    benzyl alcohol 14.9
    2-ethylhexanol 5.0
    isooctanol 6.27
    dipropyl ether 11.28
    1,2-dichlorobenzene 1.22
    ethyl lactate 24.37
    propylene carbonate 18.44
    n-methylformamide 68.33
    2-pentanol 12.13
    n-pentane 0.03
    1-propoxy-2-propanol 48.97
    1-methoxy-2-propyl acetate 36.28
    2-(2-methoxypropoxy) propanol 49.17
    mesitylene 1.27
    ε-caprolactone 27.01
    p-cymene 1.71
    epichlorohydrin 76.08
    1,1,1-trichloroethane 0.99
    2-aminoethanol 39.33
    morpholine-4-carbaldehyde 109.62
    sulfolane 80.24
    2,2,4-trimethylpentane 0.11
    2-methyltetrahydrofuran 35.73
    n-hexyl acetate 12.62
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 67.51
    sec-butyl acetate 11.68
    tert-butyl acetate 36.22
    decalin 0.12
    glycerin 89.35
    diglyme 138.07
    acrylic acid 22.92
    isopropyl myristate 7.87
    n-butyric acid 26.65
    acetyl acetate 22.67
    di(2-ethylhexyl) phthalate 8.1
    ethyl propionate 17.89
    nitromethane 207.19
    1,2-diethoxyethane 45.21
    benzonitrile 7.69
    trioctyl phosphate 6.11
    1-bromopropane 0.35
    gamma-valerolactone 122.62
    n-decanol 5.96
    triethyl phosphate 10.07
    4-methyl-2-pentanol 9.37
    propionitrile 20.47
    vinylene carbonate 16.11
    1,1,2-trichlorotrifluoroethane 53.79
    DMS 18.36
    cumene 0.84
    2-octanol 4.68
    2-hexanone 19.5
    octyl acetate 9.6
    limonene 2.23
    1,2-dimethoxyethane 204.62
    ethyl orthosilicate 9.81
    tributyl phosphate 7.66
    diacetone alcohol 78.01
    N,N-dimethylaniline 8.23
    acrylonitrile 33.63
    aniline 7.47
    1,3-propanediol 69.4
    bromobenzene 0.5
    dibromomethane 0.12
    1,1,2,2-tetrachloroethane 3.7
    2-methyl-cyclohexyl acetate 10.9
    tetrabutyl urea 13.47
    diisobutyl methanol 6.07
    2-phenylethanol 11.52
    styrene 1.03
    dioctyl adipate 13.36
    dimethyl sulfate 54.83
    ethyl butyrate 12.14
    methyl lactate 46.48
    butyl lactate 13.63
    diethyl carbonate 9.96
    propanediol butyl ether 30.57
    triethyl orthoformate 14.3
    p-tert-butyltoluene 1.96
    methyl 4-tert-butylbenzoate 19.25
    morpholine 123.97
    tert-butylamine 9.85
    n-dodecanol 4.67
    dimethoxymethane 186.36
    ethylene carbonate 16.68
    cyrene 38.07
    2-ethoxyethyl acetate 22.7
    2-ethylhexyl acetate 7.02
    1,2,4-trichlorobenzene 2.37
    4-methylpyridine 11.79
    dibutyl ether 9.74
    2,6-dimethyl-4-heptanol 6.07
    DEF 37.94
    dimethyl isosorbide 68.46
    tetrachloroethylene 1.77
    eugenol 23.08
    triacetin 27.03
    span 80 22.86
    1,4-butanediol 27.48
    1,1-dichloroethane 0.58
    2-methyl-1-pentanol 10.08
    methyl formate 60.28
    2-methyl-1-butanol 11.21
    n-decane 0.37
    butyronitrile 13.02
    3,7-dimethyl-1-octanol 7.37
    1-chlorooctane 1.62
    1-chlorotetradecane 0.96
    n-nonane 0.26
    undecane 0.31
    tert-butylcyclohexane 0.11
    cyclooctane 0.05
    cyclopentanol 16.18
    tetrahydropyran 28.09
    tert-amyl methyl ether 13.76
    2,5,8-trioxanonane 108.19
    1-hexene 0.15
    2-isopropoxyethanol 68.33
    2,2,2-trifluoroethanol 21.04
    methyl butyrate 21.63

    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