Licoricone

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  • Identifiers

    CAS number
    51847-92-8

    Molecular formula
    C22H22O6

    SMILES
    CC(=CCC1=C(C=C(C(=C1OC)C2=COC3=C(C2=O)C=CC(=C3)O)O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 50.81%
    Spicy 49.1%
    Woody 36.74%
    Smoky 32.33%
    Sweet 32.02%
    Fruity 31.8%
    Dry 27.91%
    Burnt 26.77%
    Medicinal 26.03%
    Leathery 25.9%

     

    Flavor
    Bitter 90.04%
    Bland 21.08%
    Parsley 20.64%
    Cedarleaf 20.06%
    Lovage 19.7%
    Odorless 18.94%
    Eugenol 18.52%
    Ripe apricot 18.4%
    Heather 18.37%
    Broom 18.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    9.33 (weak base)

    Molecular weight
    382.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    707°C

    Melting point expt.

    • 250 - 251 °C

    Flash point

    • 226.89 ˚C est.

  • Synonyms

    • Licoricone
    • 51847-92-8
    • UNII-T8X3270QWW
    • T8X3270QWW
    • CHEBI:69094
    • 4H-1-Benzopyran-4-one, 7-hydroxy-3-(6-hydroxy-2,4-dimethoxy-3-(3-methyl-2-butenyl)phenyl)-
    • 7-hydroxy-3-(6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-en-1-yl)phenyl)-4H-chromen-4-one
    • 7-hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one
    • 4H-1-BENZOPYRAN-4-ONE, 7-HYDROXY-3-(6-HYDROXY-2,4-DIMETHOXY-3-(3-METHYL-2-BUTEN-1-YL)PHENYL)-
    • RefChem:42063
    • 7-hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
    • 7-Hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one
    • orb1692126
    • CHEMBL4067137
    • SCHEMBL27013638
    • SCHEMBL29883602
    • DTXSID20966174
    • BCA84792
    • HY-N3386
    • LMPK12050069
    • MFCD18969907
    • AKOS032949107
    • 7-Hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methyl-but-2-enyl)-phenyl]-1-benzopyran-4-one
    • MS-26264
    • PD166726
    • DB-296768
    • CS-0024066
    • C17765
    • G14025
    • 2',7-Dihydroxy-4',6'-dimethoxy-3'-prenylisoflavone
    • Q27137435
    • 7-Hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methyl-2-butenyl)phenyl ]-4h-1-benzopyran-4-one
    • 7-Hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-1-benzopyran-4-one
    • 51847-92-8

  • Applications

    Licoricone is used primarily as a fragrance ingredient in perfumery and personal care formulations, where it contributes a distinct aroma and may act as a lightweight fixative to extend fragrance longevity. It is commonly evaluated for use in cosmetics and personal care, including skin and hair care products. In household products, it serves as an aroma component in cleaners, detergents, and air fresheners to impart a pleasant scent. In coatings and inks, it can be employed as an odorant additive to provide a favorable fragrance. It may also appear as an intermediate in fragrance synthesis. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.74
    methanol 0.72
    isopropanol 0.85
    water 0.0
    ethyl acetate 2.87
    n-propanol 1.4
    acetone 4.19
    n-butanol 1.03
    acetonitrile 1.68
    DMF 17.11
    toluene 0.75
    isobutanol 1.26
    1,4-dioxane 6.94
    methyl acetate 5.31
    THF 28.52
    2-butanone 7.47
    n-pentanol 1.03
    sec-butanol 1.16
    n-hexane 0.02
    ethylene glycol 0.51
    NMP 29.81
    cyclohexane 0.03
    DMSO 24.02
    n-butyl acetate 2.68
    n-octanol 0.56
    chloroform 11.73
    n-propyl acetate 2.85
    acetic acid 5.56
    dichloromethane 10.69
    cyclohexanone 11.5
    propylene glycol 0.69
    isopropyl acetate 2.11
    DMAc 45.39
    2-ethoxyethanol 4.91
    isopentanol 1.3
    n-heptane 0.02
    ethyl formate 1.77
    1,2-dichloroethane 6.4
    n-hexanol 0.9
    2-methoxyethanol 7.49
    isobutyl acetate 2.28
    tetrachloromethane 0.46
    n-pentyl acetate 2.13
    transcutol 11.81
    n-heptanol 0.79
    ethylbenzene 0.5
    MIBK 2.36
    2-propoxyethanol 7.62
    tert-butanol 1.56
    MTBE 1.34
    2-butoxyethanol 4.64
    propionic acid 2.82
    o-xylene 0.58
    formic acid 1.42
    diethyl ether 0.91
    m-xylene 0.45
    p-xylene 0.92
    chlorobenzene 1.67
    dimethyl carbonate 4.1
    n-octane 0.02
    formamide 2.6
    cyclopentanone 21.6
    2-pentanone 3.11
    anisole 2.2
    cyclopentyl methyl ether 3.67
    gamma-butyrolactone 21.78
    1-methoxy-2-propanol 5.3
    pyridine 10.2
    3-pentanone 3.51
    furfural 14.6
    n-dodecane 0.02
    diethylene glycol 5.54
    diisopropyl ether 0.25
    tert-amyl alcohol 1.65
    acetylacetone 5.85
    n-hexadecane 0.03
    acetophenone 4.08
    methyl propionate 4.75
    isopentyl acetate 3.51
    trichloroethylene 23.42
    n-nonanol 0.72
    cyclohexanol 1.46
    benzyl alcohol 2.75
    2-ethylhexanol 0.82
    isooctanol 0.87
    dipropyl ether 1.09
    1,2-dichlorobenzene 2.17
    ethyl lactate 2.57
    propylene carbonate 6.51
    n-methylformamide 4.41
    2-pentanol 0.59
    n-pentane 0.01
    1-propoxy-2-propanol 4.57
    1-methoxy-2-propyl acetate 6.38
    2-(2-methoxypropoxy) propanol 6.23
    mesitylene 0.25
    ε-caprolactone 10.1
    p-cymene 0.57
    epichlorohydrin 30.64
    1,1,1-trichloroethane 3.93
    2-aminoethanol 1.06
    morpholine-4-carbaldehyde 22.17
    sulfolane 34.13
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 8.04
    n-hexyl acetate 2.27
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 6.2
    sec-butyl acetate 2.14
    tert-butyl acetate 2.77
    decalin 0.05
    glycerin 2.29
    diglyme 15.06
    acrylic acid 3.67
    isopropyl myristate 1.1
    n-butyric acid 3.12
    acetyl acetate 2.61
    di(2-ethylhexyl) phthalate 2.14
    ethyl propionate 3.03
    nitromethane 15.05
    1,2-diethoxyethane 3.2
    benzonitrile 2.77
    trioctyl phosphate 1.26
    1-bromopropane 1.47
    gamma-valerolactone 30.57
    n-decanol 0.52
    triethyl phosphate 2.48
    4-methyl-2-pentanol 0.58
    propionitrile 2.29
    vinylene carbonate 6.03
    1,1,2-trichlorotrifluoroethane 24.64
    DMS 4.92
    cumene 0.45
    2-octanol 0.45
    2-hexanone 3.43
    octyl acetate 1.37
    limonene 0.61
    1,2-dimethoxyethane 11.22
    ethyl orthosilicate 2.14
    tributyl phosphate 1.65
    diacetone alcohol 5.42
    N,N-dimethylaniline 2.04
    acrylonitrile 4.11
    aniline 2.24
    1,3-propanediol 1.97
    bromobenzene 1.49
    dibromomethane 3.75
    1,1,2,2-tetrachloroethane 16.13
    2-methyl-cyclohexyl acetate 3.23
    tetrabutyl urea 2.89
    diisobutyl methanol 0.61
    2-phenylethanol 3.07
    styrene 0.59
    dioctyl adipate 2.43
    dimethyl sulfate 10.8
    ethyl butyrate 2.57
    methyl lactate 3.76
    butyl lactate 2.68
    diethyl carbonate 2.15
    propanediol butyl ether 2.67
    triethyl orthoformate 2.6
    p-tert-butyltoluene 0.48
    methyl 4-tert-butylbenzoate 4.9
    morpholine 12.01
    tert-butylamine 0.52
    n-dodecanol 0.39
    dimethoxymethane 8.88
    ethylene carbonate 4.41
    cyrene 8.47
    2-ethoxyethyl acetate 4.72
    2-ethylhexyl acetate 2.64
    1,2,4-trichlorobenzene 4.1
    4-methylpyridine 6.28
    dibutyl ether 0.85
    2,6-dimethyl-4-heptanol 0.61
    DEF 6.79
    dimethyl isosorbide 13.52
    tetrachloroethylene 7.33
    eugenol 5.11
    triacetin 4.43
    span 80 3.67
    1,4-butanediol 0.76
    1,1-dichloroethane 3.17
    2-methyl-1-pentanol 1.46
    methyl formate 3.74
    2-methyl-1-butanol 1.35
    n-decane 0.03
    butyronitrile 1.58
    3,7-dimethyl-1-octanol 0.86
    1-chlorooctane 0.28
    1-chlorotetradecane 0.14
    n-nonane 0.02
    undecane 0.03
    tert-butylcyclohexane 0.04
    cyclooctane 0.01
    cyclopentanol 2.65
    tetrahydropyran 4.61
    tert-amyl methyl ether 1.3
    2,5,8-trioxanonane 10.52
    1-hexene 0.18
    2-isopropoxyethanol 3.67
    2,2,2-trifluoroethanol 2.06
    methyl butyrate 4.01

    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