(+)-Licoricidin

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  • Identifiers

    CAS number
    30508-27-1

    Molecular formula
    C26H32O5

    SMILES
    CC(=CCC1=C(C=CC(=C1O)[C@H]2CC3=C(C=C(C(=C3OC)CC=C(C)C)O)OC2)O)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 55.43%
    Phenolic 46.23%
    Woody 32.68%
    Smoky 31.22%
    Sweet 29.57%
    Balsamic 27.3%
    Herbal 23.67%
    Burnt 23.65%
    Medicinal 22.58%
    Leathery 22.5%

     

    Flavor
    Bitter 72.97%
    Parsley 20.48%
    Cedarleaf 20.19%
    Lovage 20.06%
    Herbal 19.51%
    Thymol 18.95%
    Eugenol 18.79%
    Basil 18.71%
    Outdoor 18.58%
    Spice 18.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    9.63 (weak base)

    Molecular weight
    424.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1080°C

    Flash point

    • 218.15 ˚C est.

  • Synonyms

    • Licoricidin
    • 30508-27-1
    • 929XTD20VK
    • CHEBI:69082
    • (+)-LICORICIDIN
    • 4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
    • 4-((R)-7-Hydroxy-5-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-3-yl)-2-((E)-3-methyl-but-2-enyl)-benzene-1,3-diol
    • 4-((3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol
    • 4-[(R)-7-Hydroxy-5-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-3-yl]-2-((E)-3-methyl-but-2-enyl)-benzene-1,3-diol
    • RefChem:41326
    • 5,2',4'-Trihydroxy-7-methoxy-6,3'-diprenylisoflavan
    • 4-[7-Hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
    • LICORISOFLAVAN B
    • UNII-929XTD20VK
    • 7-O-DEMETHYLLICORISOFLAVAN A
    • 4-[(3r)-7-hydroxy-5-methoxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h-chromen-3-yl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol
    • LicoricidinLICORISOFLAVAN B
    • orb1684459
    • CHEMBL1929043
    • SCHEMBL22704769
    • SCHEMBL30405793
    • SCHEMBL30631340
    • DTXSID30952821
    • HY-N3387
    • BDBM50172098
    • MSK168286
    • AKOS032949058
    • 1,3-Benzenediol,4-[(3R)-3,4-dihydro-7-hydroxy-5-methoxy-6-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-3-yl]-2-(3-methyl-2-buten-1-yl)-
    • 4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol
    • DA-64965
    • MS-27469
    • CS-0024069
    • C16986
    • G16869
    • Q27137421
    • 2',4',7'-trihydroxy-5-methoxy-3',6-diisopentenyl-isoflavan
    • 1,3-BENZENEDIOL, 4-((3R)-3,4-DIHYDRO-7-HYDROXY-5-METHOXY-6-(3-METHYL-2-BUTENYL)-2H-1-BENZOPYRAN-3-YL)-2-(3-METHYL-2-BUTENYL)-
    • 4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)chroman-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
    • 4-[7-Hydroxy-5-methoxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol
    • 30508-27-1

  • Applications

    (+)-Licoricidin, CAS 30508-27-1, is a phenolic compound isolated from licorice (Glycyrrhiza spp.) with reported antibacterial activity against several Gram-positive bacteria and potential antibiofilm effects; accordingly, practical applications are typically considered in: cosmetics and personal care as an antimicrobial active ingredient or preservative aid; pharmaceutical R&D as a potential lead compound for antimicrobial drug development; cleaning and disinfection products as an antimicrobial additive in formulations; and agricultural research as a candidate for studying suppression of plant pathogens. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.85
    methanol 4.51
    isopropanol 5.46
    water 0.0
    ethyl acetate 24.14
    n-propanol 7.81
    acetone 29.12
    n-butanol 8.02
    acetonitrile 6.52
    DMF 37.69
    toluene 14.25
    isobutanol 6.54
    1,4-dioxane 50.31
    methyl acetate 22.52
    THF 164.13
    2-butanone 40.08
    n-pentanol 9.25
    sec-butanol 6.88
    n-hexane 0.41
    ethylene glycol 0.6
    NMP 48.27
    cyclohexane 0.74
    DMSO 53.76
    n-butyl acetate 15.73
    n-octanol 6.55
    chloroform 139.31
    n-propyl acetate 16.37
    acetic acid 20.61
    dichloromethane 83.92
    cyclohexanone 56.3
    propylene glycol 2.14
    isopropyl acetate 17.44
    DMAc 107.97
    2-ethoxyethanol 21.83
    isopentanol 9.15
    n-heptane 0.5
    ethyl formate 9.38
    1,2-dichloroethane 41.61
    n-hexanol 8.33
    2-methoxyethanol 21.8
    isobutyl acetate 13.02
    tetrachloromethane 7.54
    n-pentyl acetate 18.55
    transcutol 79.91
    n-heptanol 7.69
    ethylbenzene 6.09
    MIBK 17.93
    2-propoxyethanol 35.23
    tert-butanol 10.21
    MTBE 15.08
    2-butoxyethanol 25.18
    propionic acid 11.06
    o-xylene 7.23
    formic acid 3.63
    diethyl ether 13.37
    m-xylene 7.53
    p-xylene 7.99
    chlorobenzene 20.82
    dimethyl carbonate 17.32
    n-octane 0.28
    formamide 6.9
    cyclopentanone 69.93
    2-pentanone 27.84
    anisole 18.44
    cyclopentyl methyl ether 30.37
    gamma-butyrolactone 57.05
    1-methoxy-2-propanol 24.4
    pyridine 44.11
    3-pentanone 27.02
    furfural 41.74
    n-dodecane 0.3
    diethylene glycol 13.84
    diisopropyl ether 3.76
    tert-amyl alcohol 9.93
    acetylacetone 39.58
    n-hexadecane 0.37
    acetophenone 21.39
    methyl propionate 25.32
    isopentyl acetate 19.08
    trichloroethylene 123.52
    n-nonanol 7.72
    cyclohexanol 9.78
    benzyl alcohol 14.41
    2-ethylhexanol 6.82
    isooctanol 7.6
    dipropyl ether 10.92
    1,2-dichlorobenzene 19.43
    ethyl lactate 10.64
    propylene carbonate 23.0
    n-methylformamide 10.47
    2-pentanol 5.54
    n-pentane 0.35
    1-propoxy-2-propanol 24.42
    1-methoxy-2-propyl acetate 31.95
    2-(2-methoxypropoxy) propanol 26.51
    mesitylene 3.85
    ε-caprolactone 43.04
    p-cymene 4.22
    epichlorohydrin 101.61
    1,1,1-trichloroethane 39.2
    2-aminoethanol 2.46
    morpholine-4-carbaldehyde 56.18
    sulfolane 75.4
    2,2,4-trimethylpentane 0.48
    2-methyltetrahydrofuran 44.54
    n-hexyl acetate 20.54
    isooctane 0.32
    2-(2-butoxyethoxy)ethanol 33.42
    sec-butyl acetate 13.1
    tert-butyl acetate 20.95
    decalin 0.69
    glycerin 4.47
    diglyme 68.57
    acrylic acid 10.17
    isopropyl myristate 8.3
    n-butyric acid 19.32
    acetyl acetate 21.1
    di(2-ethylhexyl) phthalate 11.3
    ethyl propionate 16.43
    nitromethane 44.37
    1,2-diethoxyethane 27.42
    benzonitrile 12.57
    trioctyl phosphate 7.53
    1-bromopropane 15.78
    gamma-valerolactone 98.43
    n-decanol 5.15
    triethyl phosphate 11.04
    4-methyl-2-pentanol 5.24
    propionitrile 8.92
    vinylene carbonate 22.76
    1,1,2-trichlorotrifluoroethane 60.2
    DMS 19.86
    cumene 4.05
    2-octanol 5.1
    2-hexanone 21.05
    octyl acetate 10.71
    limonene 5.38
    1,2-dimethoxyethane 50.0
    ethyl orthosilicate 11.24
    tributyl phosphate 8.83
    diacetone alcohol 25.62
    N,N-dimethylaniline 12.93
    acrylonitrile 11.42
    aniline 15.59
    1,3-propanediol 6.3
    bromobenzene 23.24
    dibromomethane 41.66
    1,1,2,2-tetrachloroethane 93.49
    2-methyl-cyclohexyl acetate 16.87
    tetrabutyl urea 12.59
    diisobutyl methanol 4.87
    2-phenylethanol 17.02
    styrene 7.12
    dioctyl adipate 14.47
    dimethyl sulfate 29.07
    ethyl butyrate 14.24
    methyl lactate 12.38
    butyl lactate 15.49
    diethyl carbonate 9.99
    propanediol butyl ether 16.55
    triethyl orthoformate 14.92
    p-tert-butyltoluene 4.3
    methyl 4-tert-butylbenzoate 24.63
    morpholine 56.87
    tert-butylamine 4.46
    n-dodecanol 3.48
    dimethoxymethane 43.98
    ethylene carbonate 19.24
    cyrene 31.02
    2-ethoxyethyl acetate 32.64
    2-ethylhexyl acetate 15.12
    1,2,4-trichlorobenzene 28.98
    4-methylpyridine 32.18
    dibutyl ether 8.89
    2,6-dimethyl-4-heptanol 4.87
    DEF 30.1
    dimethyl isosorbide 54.89
    tetrachloroethylene 44.1
    eugenol 22.41
    triacetin 26.74
    span 80 20.89
    1,4-butanediol 3.04
    1,1-dichloroethane 36.68
    2-methyl-1-pentanol 9.99
    methyl formate 9.98
    2-methyl-1-butanol 8.56
    n-decane 0.63
    butyronitrile 8.3
    3,7-dimethyl-1-octanol 7.52
    1-chlorooctane 3.9
    1-chlorotetradecane 1.43
    n-nonane 0.48
    undecane 0.42
    tert-butylcyclohexane 0.67
    cyclooctane 0.34
    cyclopentanol 11.76
    tetrahydropyran 40.16
    tert-amyl methyl ether 11.97
    2,5,8-trioxanonane 46.44
    1-hexene 2.42
    2-isopropoxyethanol 18.88
    2,2,2-trifluoroethanol 6.89
    methyl butyrate 20.01

    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