Isoliquiritin Apioside

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  • Identifiers

    CAS number
    120926-46-7

    Molecular formula
    C26H30O13

    SMILES
    C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC=C(C=C3)/C=C/C(=O)C4=C(C=C(C=C4)O)O)CO)O)O)O)(CO)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.05%
    Sweet 48.41%
    Vanilla 36.07%
    Spicy 24.47%
    Bitter 23.6%
    Balsamic 23.35%
    Milky 21.71%
    Savory 21.68%
    Creamy 20.08%
    Phenolic 18.81%

     

    Flavor
    Bitter 83.9%
    Odorless 35.1%
    Bland 31.93%
    Sweet-like 26.15%
    Very mild 20.47%
    Cedarleaf 19.89%
    Lovage 19.12%
    Parsley 19.07%
    Nitrile 18.88%
    Ethyl benzoate 18.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    6.84 (neutral)

    Molecular weight
    550.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4650°C

    Flash point

    • 287.35 ˚C est.

  • Synonyms

    • Isoliquiritin apioside
    • 120926-46-7
    • (E)-3-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
    • DTXSID501314302
    • (E)-3-(4-((2S,3R,4S,5S,6R)-3-((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
    • RefChem:923727
    • DTXCID401744108
    • 4-O-(beta-D-apiofuranosyl(1-2)-beta-D-glucopyranosyl)isoliquiritigenin
    • Neolicuroside
    • MFCD20487832
    • (E)-3-(4-(((2S,3R,4S,5S,6R)-3-(((2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
    • orb1303651
    • SCHEMBL28386578
    • CHEBI:191794
    • HY-N2497
    • AKOS030530377
    • EBC-616909
    • OI33286
    • (2E)-3-(4-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-DIHYDROXY-4-(HYDROXYMETHYL)OXOLAN-2-YL]OXY}-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}PHENYL)-1-(2,4-DIHYDROXYPHENYL)PROP-2-EN-1-ONE
    • DA-54429
    • MS-30072
    • CS-0022768
    • (E)-3-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
    • 4-[(1E)-3-(2,4-Dihydroxyphenyl)-3-oxoprop-1-en-1-yl]phenyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-beta-D-glucopyranoside
    • 120926-46-7

  • Applications

    Isoliquiritin Apioside (CAS 120926-46-7) is a plant-derived flavonoid glycoside that is primarily used as a chemical intermediate and research material. In industry, it is encountered as an analytical reference standard or as a synthetic building block for related flavonoids and glycosides. It is evaluated for antioxidant activity in cosmetic and personal care formulations, where it can contribute to formulation stability. In pharmaceutical R&D, it may serve as a starting point for synthesizing bioactive flavonoid derivatives. It also appears as a constituent in licorice-derived botanical extracts, supporting metabolite profiling. Additionally, in analytical development (HPLC/MS), Isoliquiritin Apioside can be used as a reference compound to quantify glycosides in licorice materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.95
    methanol 77.73
    isopropanol 6.83
    water 1.67
    ethyl acetate 5.6
    n-propanol 14.87
    acetone 27.03
    n-butanol 8.75
    acetonitrile 5.97
    DMF 173.25
    toluene 0.79
    isobutanol 3.78
    1,4-dioxane 27.12
    methyl acetate 9.28
    THF 72.22
    2-butanone 15.38
    n-pentanol 2.86
    sec-butanol 6.06
    n-hexane 0.02
    ethylene glycol 46.04
    NMP 100.67
    cyclohexane 0.11
    DMSO 408.17
    n-butyl acetate 0.61
    n-octanol 2.85
    chloroform 1.9
    n-propyl acetate 1.09
    acetic acid 92.11
    dichloromethane 2.37
    cyclohexanone 15.09
    propylene glycol 57.77
    isopropyl acetate 2.41
    DMAc 152.32
    2-ethoxyethanol 51.54
    isopentanol 3.07
    n-heptane 0.09
    ethyl formate 8.51
    1,2-dichloroethane 1.89
    n-hexanol 1.12
    2-methoxyethanol 190.71
    isobutyl acetate 0.37
    tetrachloromethane 0.25
    n-pentyl acetate 2.06
    transcutol 61.01
    n-heptanol 2.49
    ethylbenzene 0.19
    MIBK 2.6
    2-propoxyethanol 20.32
    tert-butanol 3.88
    MTBE 1.87
    2-butoxyethanol 14.02
    propionic acid 18.35
    o-xylene 0.49
    formic acid 155.11
    diethyl ether 3.61
    m-xylene 0.4
    p-xylene 0.17
    chlorobenzene 0.35
    dimethyl carbonate 15.57
    n-octane 0.07
    formamide 150.14
    cyclopentanone 36.18
    2-pentanone 9.85
    anisole 1.73
    cyclopentyl methyl ether 6.9
    gamma-butyrolactone 42.27
    1-methoxy-2-propanol 95.97
    pyridine 10.4
    3-pentanone 6.07
    furfural 30.31
    n-dodecane 0.06
    diethylene glycol 34.9
    diisopropyl ether 0.36
    tert-amyl alcohol 3.87
    acetylacetone 20.75
    n-hexadecane 0.07
    acetophenone 2.22
    methyl propionate 12.19
    isopentyl acetate 0.49
    trichloroethylene 4.15
    n-nonanol 2.78
    cyclohexanol 4.14
    benzyl alcohol 3.58
    2-ethylhexanol 0.48
    isooctanol 1.38
    dipropyl ether 1.35
    1,2-dichlorobenzene 0.32
    ethyl lactate 5.06
    propylene carbonate 7.61
    n-methylformamide 89.57
    2-pentanol 2.87
    n-pentane 0.07
    1-propoxy-2-propanol 9.4
    1-methoxy-2-propyl acetate 4.15
    2-(2-methoxypropoxy) propanol 13.52
    mesitylene 0.2
    ε-caprolactone 12.77
    p-cymene 0.15
    epichlorohydrin 31.34
    1,1,1-trichloroethane 0.61
    2-aminoethanol 56.81
    morpholine-4-carbaldehyde 106.97
    sulfolane 96.22
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 10.42
    n-hexyl acetate 2.79
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 22.59
    sec-butyl acetate 0.6
    tert-butyl acetate 2.37
    decalin 0.03
    glycerin 146.15
    diglyme 39.56
    acrylic acid 30.85
    isopropyl myristate 0.97
    n-butyric acid 16.32
    acetyl acetate 3.97
    di(2-ethylhexyl) phthalate 1.46
    ethyl propionate 1.67
    nitromethane 134.93
    1,2-diethoxyethane 5.03
    benzonitrile 1.16
    trioctyl phosphate 1.27
    1-bromopropane 0.64
    gamma-valerolactone 94.64
    n-decanol 1.75
    triethyl phosphate 0.77
    4-methyl-2-pentanol 0.93
    propionitrile 3.35
    vinylene carbonate 7.99
    1,1,2-trichlorotrifluoroethane 61.18
    DMS 2.9
    cumene 0.1
    2-octanol 1.38
    2-hexanone 1.62
    octyl acetate 1.95
    limonene 0.3
    1,2-dimethoxyethane 32.27
    ethyl orthosilicate 0.76
    tributyl phosphate 0.95
    diacetone alcohol 14.1
    N,N-dimethylaniline 1.22
    acrylonitrile 7.81
    aniline 3.11
    1,3-propanediol 61.19
    bromobenzene 0.22
    dibromomethane 0.86
    1,1,2,2-tetrachloroethane 3.79
    2-methyl-cyclohexyl acetate 0.69
    tetrabutyl urea 2.23
    diisobutyl methanol 0.33
    2-phenylethanol 1.44
    styrene 0.22
    dioctyl adipate 2.25
    dimethyl sulfate 31.01
    ethyl butyrate 0.91
    methyl lactate 35.07
    butyl lactate 4.57
    diethyl carbonate 0.59
    propanediol butyl ether 22.23
    triethyl orthoformate 1.22
    p-tert-butyltoluene 0.16
    methyl 4-tert-butylbenzoate 5.37
    morpholine 50.62
    tert-butylamine 0.82
    n-dodecanol 1.1
    dimethoxymethane 90.74
    ethylene carbonate 5.59
    cyrene 21.71
    2-ethoxyethyl acetate 6.25
    2-ethylhexyl acetate 0.34
    1,2,4-trichlorobenzene 0.59
    4-methylpyridine 4.33
    dibutyl ether 1.37
    2,6-dimethyl-4-heptanol 0.33
    DEF 19.85
    dimethyl isosorbide 14.56
    tetrachloroethylene 2.35
    eugenol 6.5
    triacetin 6.99
    span 80 12.93
    1,4-butanediol 13.4
    1,1-dichloroethane 0.9
    2-methyl-1-pentanol 1.38
    methyl formate 59.42
    2-methyl-1-butanol 3.74
    n-decane 0.13
    butyronitrile 2.57
    3,7-dimethyl-1-octanol 1.17
    1-chlorooctane 0.5
    1-chlorotetradecane 0.18
    n-nonane 0.11
    undecane 0.09
    tert-butylcyclohexane 0.02
    cyclooctane 0.07
    cyclopentanol 8.6
    tetrahydropyran 9.48
    tert-amyl methyl ether 2.31
    2,5,8-trioxanonane 29.52
    1-hexene 0.1
    2-isopropoxyethanol 12.71
    2,2,2-trifluoroethanol 33.24
    methyl butyrate 2.5

    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