Glicoricone

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  • Identifiers

    CAS number
    161099-37-2

    Molecular formula
    C21H20O6

    SMILES
    CC(=CCC1=C(C(=C(C=C1O)O)C2=COC3=C(C2=O)C=CC(=C3)O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 55.19%
    Spicy 42.01%
    Smoky 31.38%
    Woody 31.17%
    Burnt 29.83%
    Odorless 28.45%
    Fruity 28.17%
    Medicinal 27.45%
    Dry 25.57%
    Sweet 24.53%

     

    Flavor
    Bitter 92.83%
    Odorless 20.6%
    Cedarleaf 20.32%
    Bland 20.31%
    Parsley 20.08%
    Lovage 19.66%
    Sweet-like 18.57%
    Eugenol 18.55%
    Nitrile 18.53%
    Ripe apricot 18.41%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    9.88 (weak base)

    Molecular weight
    368.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    829°C

    Melting point expt.

    • 192 °C

    Flash point

    • 239.03 ˚C est.

  • Synonyms

    • Glicoricone
    • 3-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxychromen-4-one
    • 3-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-7-hydroxy-4H-chromen-4-one
    • 3-(4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl)-7-hydroxy-4H-chromen-4-one
    • 3-(4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl)-7-hydroxychromen-4-one
    • RefChem:922244
    • 161099-37-2
    • 4H-1-Benzopyran-4-one, 3-[4,6-dihydroxy-2-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-7-hydroxy-
    • 2',4',7-Trihydroxy-6'-methoxy-3'-prenylisoflavone
    • orb1682495
    • CHEMBL4085544
    • SCHEMBL27013643
    • CHEBI:175729
    • DTXSID401121041
    • HY-N9329
    • AKOS040761784
    • 3-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxy-chromen-4-one
    • DA-53577
    • MS-25896
    • CS-0159470
    • E80598
    • 3-[4,6-Dihydroxy-2-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-7-hydroxy-4H-1-benzopyran-4-one
    • 3-[4,6-Dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-7-hydroxy-4H-1-benzopyran-4-one
    • 161099-37-2

  • Applications

    Glicoricone (CAS 161099-37-2) may be used as an intermediate in chemical synthesis; as a solvent or processing aid in cosmetic and personal care formulations; as a fixative or carrier in perfumery/fragrance applications; as a plasticizer or stabilizer in polymers and plastics; as a solvent or functional additive in coatings and inks; and as a solvent or processing aid in cleaning formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.64
    methanol 0.76
    isopropanol 0.69
    water 0.0
    ethyl acetate 1.31
    n-propanol 1.36
    acetone 1.74
    n-butanol 1.0
    acetonitrile 0.87
    DMF 18.48
    toluene 0.2
    isobutanol 1.08
    1,4-dioxane 3.92
    methyl acetate 2.71
    THF 24.49
    2-butanone 4.82
    n-pentanol 0.95
    sec-butanol 1.2
    n-hexane 0.01
    ethylene glycol 0.72
    NMP 25.77
    cyclohexane 0.01
    DMSO 39.68
    n-butyl acetate 1.63
    n-octanol 0.44
    chloroform 1.46
    n-propyl acetate 1.65
    acetic acid 3.93
    dichloromethane 1.38
    cyclohexanone 6.82
    propylene glycol 1.31
    isopropyl acetate 1.07
    DMAc 45.77
    2-ethoxyethanol 6.3
    isopentanol 1.14
    n-heptane 0.01
    ethyl formate 1.02
    1,2-dichloroethane 1.39
    n-hexanol 0.65
    2-methoxyethanol 12.15
    isobutyl acetate 1.22
    tetrachloromethane 0.09
    n-pentyl acetate 1.33
    transcutol 15.21
    n-heptanol 0.62
    ethylbenzene 0.17
    MIBK 1.4
    2-propoxyethanol 9.17
    tert-butanol 1.24
    MTBE 0.69
    2-butoxyethanol 4.89
    propionic acid 2.28
    o-xylene 0.19
    formic acid 1.58
    diethyl ether 0.38
    m-xylene 0.14
    p-xylene 0.3
    chlorobenzene 0.36
    dimethyl carbonate 2.46
    n-octane 0.01
    formamide 2.92
    cyclopentanone 16.29
    2-pentanone 1.71
    anisole 1.16
    cyclopentyl methyl ether 1.82
    gamma-butyrolactone 16.72
    1-methoxy-2-propanol 8.35
    pyridine 5.28
    3-pentanone 1.62
    furfural 10.38
    n-dodecane 0.01
    diethylene glycol 7.33
    diisopropyl ether 0.1
    tert-amyl alcohol 1.54
    acetylacetone 3.45
    n-hexadecane 0.01
    acetophenone 2.38
    methyl propionate 2.8
    isopentyl acetate 2.16
    trichloroethylene 5.35
    n-nonanol 0.58
    cyclohexanol 1.04
    benzyl alcohol 1.85
    2-ethylhexanol 0.54
    isooctanol 0.69
    dipropyl ether 0.6
    1,2-dichlorobenzene 0.53
    ethyl lactate 2.33
    propylene carbonate 3.91
    n-methylformamide 4.01
    2-pentanol 0.47
    n-pentane 0.0
    1-propoxy-2-propanol 5.33
    1-methoxy-2-propyl acetate 5.3
    2-(2-methoxypropoxy) propanol 6.45
    mesitylene 0.08
    ε-caprolactone 6.79
    p-cymene 0.24
    epichlorohydrin 21.36
    1,1,1-trichloroethane 0.76
    2-aminoethanol 1.59
    morpholine-4-carbaldehyde 21.65
    sulfolane 36.29
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 4.91
    n-hexyl acetate 1.61
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.77
    sec-butyl acetate 1.21
    tert-butyl acetate 1.68
    decalin 0.02
    glycerin 4.62
    diglyme 14.53
    acrylic acid 2.93
    isopropyl myristate 0.7
    n-butyric acid 2.45
    acetyl acetate 1.05
    di(2-ethylhexyl) phthalate 1.55
    ethyl propionate 1.74
    nitromethane 10.94
    1,2-diethoxyethane 2.35
    benzonitrile 1.34
    trioctyl phosphate 0.97
    1-bromopropane 0.33
    gamma-valerolactone 27.65
    n-decanol 0.41
    triethyl phosphate 1.62
    4-methyl-2-pentanol 0.43
    propionitrile 1.37
    vinylene carbonate 3.32
    1,1,2-trichlorotrifluoroethane 19.92
    DMS 3.08
    cumene 0.16
    2-octanol 0.35
    2-hexanone 2.17
    octyl acetate 0.98
    limonene 0.27
    1,2-dimethoxyethane 10.53
    ethyl orthosilicate 1.36
    tributyl phosphate 1.22
    diacetone alcohol 5.4
    N,N-dimethylaniline 1.07
    acrylonitrile 2.63
    aniline 1.12
    1,3-propanediol 2.86
    bromobenzene 0.28
    dibromomethane 0.46
    1,1,2,2-tetrachloroethane 4.5
    2-methyl-cyclohexyl acetate 2.0
    tetrabutyl urea 2.2
    diisobutyl methanol 0.4
    2-phenylethanol 2.01
    styrene 0.17
    dioctyl adipate 1.71
    dimethyl sulfate 8.39
    ethyl butyrate 1.53
    methyl lactate 4.15
    butyl lactate 2.54
    diethyl carbonate 1.28
    propanediol butyl ether 3.42
    triethyl orthoformate 1.78
    p-tert-butyltoluene 0.21
    methyl 4-tert-butylbenzoate 3.69
    morpholine 9.3
    tert-butylamine 0.3
    n-dodecanol 0.28
    dimethoxymethane 7.49
    ethylene carbonate 2.37
    cyrene 8.07
    2-ethoxyethyl acetate 3.27
    2-ethylhexyl acetate 1.5
    1,2,4-trichlorobenzene 1.23
    4-methylpyridine 3.01
    dibutyl ether 0.5
    2,6-dimethyl-4-heptanol 0.4
    DEF 4.61
    dimethyl isosorbide 12.52
    tetrachloroethylene 1.75
    eugenol 4.31
    triacetin 3.51
    span 80 3.69
    1,4-butanediol 0.9
    1,1-dichloroethane 0.61
    2-methyl-1-pentanol 1.2
    methyl formate 2.66
    2-methyl-1-butanol 1.27
    n-decane 0.01
    butyronitrile 0.91
    3,7-dimethyl-1-octanol 0.67
    1-chlorooctane 0.12
    1-chlorotetradecane 0.06
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.02
    cyclooctane 0.0
    cyclopentanol 2.14
    tetrahydropyran 2.09
    tert-amyl methyl ether 0.77
    2,5,8-trioxanonane 10.31
    1-hexene 0.06
    2-isopropoxyethanol 4.07
    2,2,2-trifluoroethanol 1.33
    methyl butyrate 2.57

    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