Glycyrrhizaisoflavone A

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  • Identifiers

    CAS number
    197304-06-6

    Molecular formula
    C20H18O7

    SMILES
    CC1(C(CC2=C(O1)C(=CC(=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 53.42%
    Phenolic 48.79%
    Burnt 28.53%
    Vanilla 26.37%
    Spicy 22.96%
    Smoky 22.84%
    Creamy 20.95%
    Dry 20.35%
    Sweet 19.6%
    Savory 19.44%

     

    Flavor
    Bitter 94.05%
    Bland 23.3%
    Odorless 22.8%
    Sweet-like 21.18%
    Cedarleaf 20.65%
    Parsley 20.11%
    Lovage 19.47%
    Eugenol 19.4%
    Ripe apricot 19.04%
    Indole 18.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.76 (weak base)

    Molecular weight
    370.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1297°C

    Melting point expt.

    • 141 °C

    Flash point

    • 277.74 ˚C est.

  • Synonyms

    • Glycyrrhizaisoflavone A
    • glycyrrhiza isoflavone A
    • CHEBI:175754
    • DTXSID701132106
    • 197304-06-6
    • 3-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5,7-dihydroxy-4H-chromen-4-one
    • 3-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dihydroxychromen-4-one
    • 2a(2),3a(2)-Dihydro-3a(2),5,7,8a(2)-tetrahydroxy-2a(2),2a(2)-dimethyl[3,6a(2)-bi-4H-1-benzopyran]-4-one
    • 3',5,7,8'-Tetrahydroxy-2',2'-dimethyl-3',4'-dihydro-2'H,4H-[3,6'-bi-1-benzopyran]-4-one
    • 197304-06-6

  • Applications

    Glycyrrhizaisoflavone A (CAS 197304-06-6) is a licorice-derived isoflavone commonly considered as a chemical intermediate and research material. In industrial contexts it can function as an intermediate in organic synthesis and as a building block for more complex polyphenolic molecules. In cosmetics and personal care, it is evaluated as a bioactive polyphenol with potential antioxidant properties for formulation development. It may be used as an antioxidant or stabilizer additive for polymers and coatings, contributing to formulation longevity. It is also of interest in pharmaceutical research as a lead compound for medicinal chemistry and in agricultural research as a basis for studying biologically active polyphenols, with usage subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.59
    methanol 4.51
    isopropanol 2.51
    water 0.01
    ethyl acetate 1.3
    n-propanol 3.05
    acetone 9.4
    n-butanol 2.15
    acetonitrile 2.09
    DMF 103.06
    toluene 0.12
    isobutanol 1.77
    1,4-dioxane 8.63
    methyl acetate 2.83
    THF 46.04
    2-butanone 7.88
    n-pentanol 2.04
    sec-butanol 2.11
    n-hexane 0.01
    ethylene glycol 8.23
    NMP 38.12
    cyclohexane 0.01
    DMSO 352.28
    n-butyl acetate 1.43
    n-octanol 1.62
    chloroform 0.15
    n-propyl acetate 1.86
    acetic acid 8.86
    dichloromethane 0.2
    cyclohexanone 8.5
    propylene glycol 12.49
    isopropyl acetate 1.16
    DMAc 74.67
    2-ethoxyethanol 30.05
    isopentanol 1.96
    n-heptane 0.03
    ethyl formate 2.19
    1,2-dichloroethane 0.35
    n-hexanol 0.92
    2-methoxyethanol 66.73
    isobutyl acetate 1.21
    tetrachloromethane 0.03
    n-pentyl acetate 2.28
    transcutol 53.36
    n-heptanol 1.62
    ethylbenzene 0.1
    MIBK 2.5
    2-propoxyethanol 24.82
    tert-butanol 3.2
    MTBE 0.77
    2-butoxyethanol 11.55
    propionic acid 3.69
    o-xylene 0.12
    formic acid 9.75
    diethyl ether 0.6
    m-xylene 0.13
    p-xylene 0.19
    chlorobenzene 0.12
    dimethyl carbonate 2.7
    n-octane 0.02
    formamide 19.69
    cyclopentanone 26.06
    2-pentanone 3.9
    anisole 0.86
    cyclopentyl methyl ether 2.22
    gamma-butyrolactone 24.54
    1-methoxy-2-propanol 46.43
    pyridine 3.5
    3-pentanone 1.84
    furfural 16.22
    n-dodecane 0.03
    diethylene glycol 37.26
    diisopropyl ether 0.16
    tert-amyl alcohol 2.02
    acetylacetone 8.7
    n-hexadecane 0.04
    acetophenone 1.97
    methyl propionate 2.88
    isopentyl acetate 1.89
    trichloroethylene 0.78
    n-nonanol 1.79
    cyclohexanol 1.14
    benzyl alcohol 1.98
    2-ethylhexanol 0.7
    isooctanol 1.49
    dipropyl ether 1.08
    1,2-dichlorobenzene 0.15
    ethyl lactate 4.78
    propylene carbonate 3.82
    n-methylformamide 26.93
    2-pentanol 0.98
    n-pentane 0.01
    1-propoxy-2-propanol 14.17
    1-methoxy-2-propyl acetate 6.03
    2-(2-methoxypropoxy) propanol 13.97
    mesitylene 0.09
    ε-caprolactone 6.37
    p-cymene 0.18
    epichlorohydrin 22.96
    1,1,1-trichloroethane 0.15
    2-aminoethanol 10.35
    morpholine-4-carbaldehyde 50.44
    sulfolane 67.39
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 4.79
    n-hexyl acetate 2.94
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 19.62
    sec-butyl acetate 1.01
    tert-butyl acetate 1.99
    decalin 0.01
    glycerin 38.61
    diglyme 35.62
    acrylic acid 5.15
    isopropyl myristate 1.28
    n-butyric acid 3.69
    acetyl acetate 0.93
    di(2-ethylhexyl) phthalate 2.15
    ethyl propionate 1.38
    nitromethane 32.93
    1,2-diethoxyethane 6.12
    benzonitrile 1.31
    trioctyl phosphate 1.85
    1-bromopropane 0.14
    gamma-valerolactone 68.31
    n-decanol 1.26
    triethyl phosphate 1.29
    4-methyl-2-pentanol 0.78
    propionitrile 1.76
    vinylene carbonate 3.05
    1,1,2-trichlorotrifluoroethane 21.28
    DMS 2.79
    cumene 0.09
    2-octanol 1.1
    2-hexanone 3.6
    octyl acetate 1.95
    limonene 0.23
    1,2-dimethoxyethane 36.92
    ethyl orthosilicate 1.15
    tributyl phosphate 1.94
    diacetone alcohol 12.01
    N,N-dimethylaniline 0.83
    acrylonitrile 4.32
    aniline 0.68
    1,3-propanediol 15.12
    bromobenzene 0.07
    dibromomethane 0.09
    1,1,2,2-tetrachloroethane 0.9
    2-methyl-cyclohexyl acetate 1.74
    tetrabutyl urea 4.1
    diisobutyl methanol 0.64
    2-phenylethanol 1.77
    styrene 0.09
    dioctyl adipate 2.87
    dimethyl sulfate 8.52
    ethyl butyrate 1.43
    methyl lactate 11.16
    butyl lactate 5.29
    diethyl carbonate 0.9
    propanediol butyl ether 14.34
    triethyl orthoformate 1.9
    p-tert-butyltoluene 0.18
    methyl 4-tert-butylbenzoate 4.74
    morpholine 17.13
    tert-butylamine 0.48
    n-dodecanol 0.84
    dimethoxymethane 26.88
    ethylene carbonate 2.21
    cyrene 16.56
    2-ethoxyethyl acetate 5.57
    2-ethylhexyl acetate 1.15
    1,2,4-trichlorobenzene 0.31
    4-methylpyridine 2.03
    dibutyl ether 1.33
    2,6-dimethyl-4-heptanol 0.64
    DEF 6.35
    dimethyl isosorbide 22.52
    tetrachloroethylene 0.35
    eugenol 6.56
    triacetin 6.58
    span 80 8.32
    1,4-butanediol 6.54
    1,1-dichloroethane 0.17
    2-methyl-1-pentanol 1.48
    methyl formate 17.14
    2-methyl-1-butanol 1.59
    n-decane 0.05
    butyronitrile 1.38
    3,7-dimethyl-1-octanol 1.43
    1-chlorooctane 0.28
    1-chlorotetradecane 0.13
    n-nonane 0.04
    undecane 0.04
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 2.98
    tetrahydropyran 2.37
    tert-amyl methyl ether 0.78
    2,5,8-trioxanonane 24.93
    1-hexene 0.08
    2-isopropoxyethanol 13.14
    2,2,2-trifluoroethanol 3.08
    methyl butyrate 2.84

    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