Liquiritin

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  • Identifiers

    CAS number
    551-15-5

    Molecular formula
    C21H22O9

    SMILES
    C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 57.72%
    Sweet 49.1%
    Vanilla 45.45%
    Phenolic 31.04%
    Spicy 26.74%
    Creamy 25.1%
    Balsamic 23.12%
    Bitter 22.95%
    Milky 22.26%
    Coconut 20.04%

     

    Flavor
    Bitter 86.01%
    Bland 28.23%
    Sweet-like 25.23%
    Odorless 23.99%
    Cedarleaf 20.35%
    Lovage 19.81%
    Parsley 19.54%
    Naphthalic 19.25%
    Ethyl benzoate 18.83%
    Eugenol 18.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    7.88 (neutral)

    Molecular weight
    418.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2190°C

    Flash point

    • 259.96 ˚C est.

  • Synonyms

    • Liquiritin
    • 551-15-5
    • Liquiritoside
    • 7-Hydroxyflavanone 4'-O-glucoside
    • T0O79T74CD
    • CHEBI:80845
    • 4',7-Dihydroxyflavanone 4'-(beta-D-glucopyranoside)
    • (2S)-7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
    • DTXSID40203619
    • 4'-O-beta-D-glucopyranosyl-7-hydroxyflavan-4-one
    • (2S)-7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chroman-4-one
    • (2S)-7-hydroxy-2-(4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)-2,3-dihydrochromen-4-one
    • (2S)-7-hydroxy-2-(4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxyphenyl)chroman-4-one
    • RefChem:41552
    • GlyTouCan:G71051JT
    • DTXCID20126110
    • G71051JT
    • 4H-1-benzopyran-4-one, 2-(4-(beta-D-glucopyranosyloxy)phenyl)-2,3-dihydro-7-hydroxy-, (2S)-
    • MFCD00210526
    • 4H-1-Benzopyran-4-one,2-[4-(b-D-glucopyranosyloxy)phenyl]-2,3-dihydro-7-hydroxy-, (2S)-
    • (2S)-7-hydroxy-2-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-4-one
    • 4-[(2S)-7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]phenyl beta-D-glucopyranoside
    • 4',7-Dihydroxyflavanone 4'-(beta-D-glucoside)
    • UNII-T0O79T74CD
    • Likviriton
    • MLS000575018
    • Liquiritigenin-4'-O-glucoside
    • CHEMBL511995
    • orb1304873
    • SCHEMBL26113334
    • SCHEMBL29536850
    • Liquiritigenin-4'-beta-glucoside
    • GLXC-13392
    • HMS2214B11
    • HMS6019M03
    • liquiritigenin-4'-beta-D-glucoside
    • HY-N0376
    • MSK40205
    • BDBM50479044
    • s3930
    • AKOS015897117
    • CCG-268869
    • EBC-457047
    • ML08128
    • (S)-2-(4-(beta-D-Glucopyranosyloxy)phenyl)-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one
    • AC-34230
    • AS-74201
    • SMR000232362
    • 7-hydroxyflavanone 4'-O-beta-D-glucoside
    • liquiritigenin 4'-O-beta-D-glucopyranoside
    • CS-0008920
    • L0269
    • C16989
    • 4',7-Dihydroxyflavanone-4'-(b-D-glucopyranoside)
    • LIQUIRITIGENIN 4'-.BETA.-D-GLUCOPYRANOSIDE
    • Q3242316
    • (2S)-2-[4-(|A-D-Glucopyranosyloxy)phenyl]-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one
    • (S)-7-Hydroxy-2-[4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-phenyl]-chroman-4-one
    • 4H-1-BENZOPYRAN-4-ONE, 2-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)PHENYL)-2,3-DIHYDRO-7-HYDROXY-, (2S)-
    • 4H-1-Benzopyran-4-one, 2-(4-(beta-D-glucopyranosyloxy)phenyl)-2,3-dihydro-7-hydroxy-, (S)-
    • 4H-1-Benzopyran-4-one, 2-[4-(?-D-glucopyranosyloxy)phenyl]-2,3-dihydro-7-hydroxy-, (2S)-
    • 7-Hydroxyflavanone 4 inverted exclamation marka-O-glucoside; (S)-7-hydroxy-2-(4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)chroman-4-one
    • 551-15-5

  • Applications

    Liquiritin (CAS 551-15-5) is a flavonoid glycoside derived from Glycyrrhiza species (licorice). In industry it is primarily used as an analytical reference standard for quantifying licorice-derived flavonoids in pharmaceutical and botanical products by HPLC/LC-MS. It also serves as a chemical intermediate in flavonoid synthesis and in formulation development for research and product development projects, including licorice-derived ingredients used in cosmetics and personal-care formulations. Occasional exploration in flavor and fragrance contexts considers licorice-related flavonoids for flavor systems and aroma profiles. Additionally, liquiritin-containing extracts are encountered in some nutraceuticals and botanical preparations, where its presence supports raw-material quality control. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.72
    methanol 6.63
    isopropanol 0.73
    water 0.33
    ethyl acetate 0.75
    n-propanol 1.06
    acetone 5.12
    n-butanol 1.29
    acetonitrile 1.25
    DMF 48.95
    toluene 0.33
    isobutanol 0.48
    1,4-dioxane 12.02
    methyl acetate 1.1
    THF 21.61
    2-butanone 2.19
    n-pentanol 0.53
    sec-butanol 0.62
    n-hexane 0.01
    ethylene glycol 8.51
    NMP 18.87
    cyclohexane 0.03
    DMSO 146.05
    n-butyl acetate 0.2
    n-octanol 1.48
    chloroform 0.13
    n-propyl acetate 0.27
    acetic acid 10.86
    dichloromethane 0.17
    cyclohexanone 4.54
    propylene glycol 8.77
    isopropyl acetate 0.56
    DMAc 48.81
    2-ethoxyethanol 20.79
    isopentanol 0.86
    n-heptane 0.05
    ethyl formate 1.38
    1,2-dichloroethane 0.25
    n-hexanol 0.28
    2-methoxyethanol 62.0
    isobutyl acetate 0.14
    tetrachloromethane 0.03
    n-pentyl acetate 0.76
    transcutol 52.53
    n-heptanol 1.16
    ethylbenzene 0.1
    MIBK 1.05
    2-propoxyethanol 9.01
    tert-butanol 0.92
    MTBE 0.4
    2-butoxyethanol 7.76
    propionic acid 1.81
    o-xylene 0.24
    formic acid 24.95
    diethyl ether 0.56
    m-xylene 0.25
    p-xylene 0.1
    chlorobenzene 0.12
    dimethyl carbonate 3.14
    n-octane 0.04
    formamide 31.59
    cyclopentanone 9.01
    2-pentanone 1.87
    anisole 0.79
    cyclopentyl methyl ether 2.1
    gamma-butyrolactone 7.75
    1-methoxy-2-propanol 29.31
    pyridine 3.32
    3-pentanone 1.15
    furfural 10.04
    n-dodecane 0.04
    diethylene glycol 17.96
    diisopropyl ether 0.12
    tert-amyl alcohol 0.68
    acetylacetone 7.0
    n-hexadecane 0.05
    acetophenone 1.02
    methyl propionate 1.83
    isopentyl acetate 0.25
    trichloroethylene 0.55
    n-nonanol 1.63
    cyclohexanol 1.06
    benzyl alcohol 1.51
    2-ethylhexanol 0.24
    isooctanol 0.81
    dipropyl ether 0.72
    1,2-dichlorobenzene 0.13
    ethyl lactate 1.65
    propylene carbonate 1.49
    n-methylformamide 16.07
    2-pentanol 0.48
    n-pentane 0.01
    1-propoxy-2-propanol 4.86
    1-methoxy-2-propyl acetate 1.95
    2-(2-methoxypropoxy) propanol 9.92
    mesitylene 0.16
    ε-caprolactone 3.13
    p-cymene 0.11
    epichlorohydrin 7.77
    1,1,1-trichloroethane 0.08
    2-aminoethanol 9.42
    morpholine-4-carbaldehyde 40.23
    sulfolane 24.69
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.17
    n-hexyl acetate 1.36
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 16.38
    sec-butyl acetate 0.18
    tert-butyl acetate 0.89
    decalin 0.01
    glycerin 39.94
    diglyme 32.94
    acrylic acid 4.04
    isopropyl myristate 0.63
    n-butyric acid 2.25
    acetyl acetate 1.02
    di(2-ethylhexyl) phthalate 1.09
    ethyl propionate 0.38
    nitromethane 28.12
    1,2-diethoxyethane 3.72
    benzonitrile 0.57
    trioctyl phosphate 0.78
    1-bromopropane 0.09
    gamma-valerolactone 34.33
    n-decanol 1.07
    triethyl phosphate 0.47
    4-methyl-2-pentanol 0.3
    propionitrile 0.73
    vinylene carbonate 1.94
    1,1,2-trichlorotrifluoroethane 14.96
    DMS 1.16
    cumene 0.06
    2-octanol 0.64
    2-hexanone 0.53
    octyl acetate 1.08
    limonene 0.18
    1,2-dimethoxyethane 19.19
    ethyl orthosilicate 0.48
    tributyl phosphate 0.66
    diacetone alcohol 5.14
    N,N-dimethylaniline 0.7
    acrylonitrile 1.81
    aniline 1.12
    1,3-propanediol 12.97
    bromobenzene 0.08
    dibromomethane 0.08
    1,1,2,2-tetrachloroethane 0.55
    2-methyl-cyclohexyl acetate 0.39
    tetrabutyl urea 1.71
    diisobutyl methanol 0.25
    2-phenylethanol 0.83
    styrene 0.1
    dioctyl adipate 1.53
    dimethyl sulfate 7.25
    ethyl butyrate 0.41
    methyl lactate 7.91
    butyl lactate 1.94
    diethyl carbonate 0.27
    propanediol butyl ether 11.04
    triethyl orthoformate 0.73
    p-tert-butyltoluene 0.12
    methyl 4-tert-butylbenzoate 3.19
    morpholine 15.22
    tert-butylamine 0.19
    n-dodecanol 0.7
    dimethoxymethane 27.21
    ethylene carbonate 1.36
    cyrene 10.66
    2-ethoxyethyl acetate 2.46
    2-ethylhexyl acetate 0.17
    1,2,4-trichlorobenzene 0.23
    4-methylpyridine 1.6
    dibutyl ether 1.0
    2,6-dimethyl-4-heptanol 0.25
    DEF 5.14
    dimethyl isosorbide 11.53
    tetrachloroethylene 0.39
    eugenol 4.19
    triacetin 3.68
    span 80 6.9
    1,4-butanediol 3.51
    1,1-dichloroethane 0.08
    2-methyl-1-pentanol 0.41
    methyl formate 11.97
    2-methyl-1-butanol 0.73
    n-decane 0.08
    butyronitrile 0.66
    3,7-dimethyl-1-octanol 0.8
    1-chlorooctane 0.27
    1-chlorotetradecane 0.11
    n-nonane 0.06
    undecane 0.06
    tert-butylcyclohexane 0.01
    cyclooctane 0.03
    cyclopentanol 1.53
    tetrahydropyran 2.38
    tert-amyl methyl ether 0.54
    2,5,8-trioxanonane 25.47
    1-hexene 0.03
    2-isopropoxyethanol 5.9
    2,2,2-trifluoroethanol 4.63
    methyl butyrate 0.63

    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