Licoflavonol

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  • Identifiers

    CAS number
    60197-60-6

    Molecular formula
    C20H18O6

    SMILES
    CC(=CCC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 61.31%
    Spicy 39.64%
    Odorless 36.26%
    Burnt 34.41%
    Smoky 33.63%
    Medicinal 30.26%
    Woody 27.48%
    Dry 24.32%
    Fruity 23.25%
    Animal 22.72%

     

    Flavor
    Bitter 92.66%
    Odorless 20.98%
    Cedarleaf 20.64%
    Lovage 20.05%
    Parsley 20.03%
    Nitrile 19.39%
    Eugenol 19.32%
    Sweet-like 19.14%
    Very strong 19.13%
    Flat 18.95%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    10.27 (weak base)

    Molecular weight
    354.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1236°C

    Melting point expt.

    • 185 - 187 °C

    Flash point

    • 240.05 ˚C est.

  • Synonyms

    • Licoflavonol
    • 60197-60-6
    • UNII-9E3F3Z8Y1E
    • 9E3F3Z8Y1E
    • RefChem:41313
    • 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
    • 3,5,7-Trihydroxy-2-(4-hydroxy-phenyl)-6-(3-methyl-but-2-enyl)-1-benzopyran-4-one
    • 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
    • CHEMBL600185
    • orb1684464
    • SCHEMBL8050093
    • SCHEMBL29392785
    • DTXSID50208938
    • CHEBI:175548
    • HY-N6583
    • LMPK12111978
    • MFCD30533744
    • 4',5,7-Trihydroxy-6-prenylflavonol
    • AKOS040760516
    • FL34146
    • 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
    • 3,4',5,7-tetrahydroxy-6-prenylflavone
    • DA-54914
    • MS-25514
    • CS-0034284
    • D84920
    • Q27272427
    • 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
    • 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CI
    • 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-4H-1-benzopyran-4-one
    • 60197-60-6

  • Applications

    Licoflavonol (CAS 60197-60-6) is principally used as a synthetic building block in the preparation of organic compounds and pharmaceutical intermediates, and its antioxidant properties support its use as a stabilizer additive for plastics, polymers and coatings to improve durability and photo-oxidative stability; in cosmetics and personal care, it may be utilized as an antioxidant ingredient and skin conditioning component; in the inks and coatings industries, licoflavonol can serve as an antioxidant/color-retention additive to extend the life of coatings and printed materials; it is also viewed as a potential intermediate for colorant or dye compounds in pigment synthesis and formulation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.9
    methanol 1.74
    isopropanol 2.11
    water 0.0
    ethyl acetate 1.57
    n-propanol 3.72
    acetone 2.65
    n-butanol 2.69
    acetonitrile 0.78
    DMF 23.06
    toluene 0.32
    isobutanol 2.34
    1,4-dioxane 5.6
    methyl acetate 3.15
    THF 48.02
    2-butanone 8.29
    n-pentanol 2.18
    sec-butanol 3.62
    n-hexane 0.01
    ethylene glycol 1.6
    NMP 29.65
    cyclohexane 0.01
    DMSO 79.43
    n-butyl acetate 1.93
    n-octanol 0.99
    chloroform 0.13
    n-propyl acetate 1.86
    acetic acid 5.21
    dichloromethane 0.17
    cyclohexanone 9.13
    propylene glycol 5.87
    isopropyl acetate 1.51
    DMAc 48.39
    2-ethoxyethanol 13.02
    isopentanol 2.5
    n-heptane 0.02
    ethyl formate 1.17
    1,2-dichloroethane 0.4
    n-hexanol 1.52
    2-methoxyethanol 32.74
    isobutyl acetate 1.23
    tetrachloromethane 0.02
    n-pentyl acetate 2.11
    transcutol 41.77
    n-heptanol 1.38
    ethylbenzene 0.2
    MIBK 2.2
    2-propoxyethanol 17.01
    tert-butanol 3.58
    MTBE 1.36
    2-butoxyethanol 8.95
    propionic acid 3.79
    o-xylene 0.27
    formic acid 2.34
    diethyl ether 0.62
    m-xylene 0.23
    p-xylene 0.3
    chlorobenzene 0.22
    dimethyl carbonate 2.26
    n-octane 0.01
    formamide 5.16
    cyclopentanone 22.54
    2-pentanone 3.11
    anisole 1.45
    cyclopentyl methyl ether 3.42
    gamma-butyrolactone 19.18
    1-methoxy-2-propanol 25.66
    pyridine 6.99
    3-pentanone 2.01
    furfural 11.29
    n-dodecane 0.02
    diethylene glycol 14.11
    diisopropyl ether 0.17
    tert-amyl alcohol 4.41
    acetylacetone 5.45
    n-hexadecane 0.02
    acetophenone 2.74
    methyl propionate 3.39
    isopentyl acetate 2.57
    trichloroethylene 1.26
    n-nonanol 1.24
    cyclohexanol 2.21
    benzyl alcohol 2.62
    2-ethylhexanol 1.0
    isooctanol 1.35
    dipropyl ether 0.91
    1,2-dichlorobenzene 0.25
    ethyl lactate 3.07
    propylene carbonate 4.06
    n-methylformamide 5.56
    2-pentanol 1.47
    n-pentane 0.01
    1-propoxy-2-propanol 11.32
    1-methoxy-2-propyl acetate 7.37
    2-(2-methoxypropoxy) propanol 11.83
    mesitylene 0.12
    ε-caprolactone 9.09
    p-cymene 0.3
    epichlorohydrin 21.0
    1,1,1-trichloroethane 0.21
    2-aminoethanol 4.75
    morpholine-4-carbaldehyde 26.6
    sulfolane 51.62
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 9.03
    n-hexyl acetate 2.74
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 15.26
    sec-butyl acetate 1.48
    tert-butyl acetate 2.97
    decalin 0.02
    glycerin 15.58
    diglyme 24.04
    acrylic acid 4.22
    isopropyl myristate 1.17
    n-butyric acid 3.65
    acetyl acetate 0.94
    di(2-ethylhexyl) phthalate 2.19
    ethyl propionate 1.59
    nitromethane 11.06
    1,2-diethoxyethane 4.57
    benzonitrile 1.21
    trioctyl phosphate 1.46
    1-bromopropane 0.18
    gamma-valerolactone 42.75
    n-decanol 0.9
    triethyl phosphate 1.41
    4-methyl-2-pentanol 1.0
    propionitrile 1.27
    vinylene carbonate 2.62
    1,1,2-trichlorotrifluoroethane 20.96
    DMS 3.26
    cumene 0.17
    2-octanol 0.86
    2-hexanone 3.15
    octyl acetate 1.71
    limonene 0.38
    1,2-dimethoxyethane 16.66
    ethyl orthosilicate 1.33
    tributyl phosphate 1.62
    diacetone alcohol 13.08
    N,N-dimethylaniline 1.27
    acrylonitrile 2.34
    aniline 1.89
    1,3-propanediol 8.33
    bromobenzene 0.14
    dibromomethane 0.08
    1,1,2,2-tetrachloroethane 1.37
    2-methyl-cyclohexyl acetate 2.25
    tetrabutyl urea 2.99
    diisobutyl methanol 0.78
    2-phenylethanol 2.89
    styrene 0.19
    dioctyl adipate 2.56
    dimethyl sulfate 7.26
    ethyl butyrate 1.62
    methyl lactate 7.58
    butyl lactate 4.39
    diethyl carbonate 1.01
    propanediol butyl ether 9.75
    triethyl orthoformate 2.07
    p-tert-butyltoluene 0.32
    methyl 4-tert-butylbenzoate 5.26
    morpholine 17.06
    tert-butylamine 0.71
    n-dodecanol 0.6
    dimethoxymethane 11.28
    ethylene carbonate 1.8
    cyrene 12.12
    2-ethoxyethyl acetate 5.31
    2-ethylhexyl acetate 1.68
    1,2,4-trichlorobenzene 0.65
    4-methylpyridine 3.86
    dibutyl ether 0.87
    2,6-dimethyl-4-heptanol 0.78
    DEF 5.67
    dimethyl isosorbide 18.82
    tetrachloroethylene 0.48
    eugenol 6.39
    triacetin 4.82
    span 80 7.97
    1,4-butanediol 2.08
    1,1-dichloroethane 0.17
    2-methyl-1-pentanol 2.42
    methyl formate 3.19
    2-methyl-1-butanol 3.08
    n-decane 0.02
    butyronitrile 0.94
    3,7-dimethyl-1-octanol 1.37
    1-chlorooctane 0.18
    1-chlorotetradecane 0.1
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.01
    cyclopentanol 4.33
    tetrahydropyran 3.38
    tert-amyl methyl ether 1.75
    2,5,8-trioxanonane 17.57
    1-hexene 0.08
    2-isopropoxyethanol 7.97
    2,2,2-trifluoroethanol 1.21
    methyl butyrate 2.72

    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