Isoliquiritigenin

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  • Identifiers

    CAS number
    961-29-5

    Molecular formula
    C15H12O4

    SMILES
    C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 53.99%
    Balsamic 44.22%
    Spicy 42.31%
    Sweet 41.0%
    Odorless 36.95%
    Bitter 32.95%
    Vanilla 32.57%
    Fruity 29.85%
    Medicinal 29.24%
    Burnt 29.24%

     

    Flavor
    Bitter 90.67%
    Odorless 31.82%
    Nitrile 21.97%
    Lovage 20.57%
    Very strong 20.53%
    Mild 20.44%
    Indole 20.03%
    Cedarleaf 19.95%
    Sweet-like 19.77%
    Urine 19.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    10.64 (weak base)

    Molecular weight
    256.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    489°C

    Melting point expt.

    • 200 - 204 °C

    Flash point

    • 228.45 ˚C est.

  • Synonyms

    • isoliquiritigenin
    • 961-29-5
    • (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
    • 6'-deoxychalcone
    • trihydroxychalcone
    • 2',4',4-Trihydroxychalcone
    • Chalcone, 2',4,4'-trihydroxy-
    • GU 17
    • B9CTI9GB8F
    • GU-17
    • trans-2',4,4'-trihydroxychalcone
    • 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (E)-
    • DTXSID2022466
    • (E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-propenone
    • CHEBI:310312
    • (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propene-1-one
    • RefChem:51351
    • DTXCID202466
    • 677-489-8
    • 2',4,4'-Trihydroxychalcone
    • 4,2',4'-Trihydroxychalcone
    • MFCD00075907
    • (2E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
    • 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one
    • 13745-20-5
    • (2E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one
    • 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (2E)-
    • 42'4'-trihydroxychalcone
    • Acrylophenone, 2',4'-dihydroxy-3-(p-hydroxyphenyl)-
    • CHEMBL129795
    • 2-PROPEN-1-ONE, 1-(2,4-DIHYDROXYPHENYL)-3-(4-HYDROXYPHENYL)-
    • 1060-19-1
    • SMR000112969
    • CCRIS 7676
    • SR-01000075499
    • EINECS 237-316-5
    • UNII-B9CTI9GB8F
    • BRN 1914295
    • Isoliquiritigen
    • (E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one
    • ILTG
    • ISLQ
    • Isoliquiritigenin, powder
    • Spectrum5_000612
    • Isoliquiritigenin (Standard)
    • Lopac0_000681
    • BSPBio_003411
    • 1-08-00-00707 (Beilstein Handbook Reference)
    • MLS000438943
    • MLS002207240
    • MLS006010045
    • 4,2?,4?-Trihydroxychalcone
    • BIDD:ER0235
    • SCHEMBL161168
    • SPECTRUM1504200
    • cid_638278
    • MEGxp0_001326
    • orb1310346
    • 2',4,4'-Trihydroxy-Chalcone
    • SCHEMBL25220042
    • SCHEMBL29396382
    • 2'',4'',4-trihydroxychalcone
    • 2'',4,4''-trihydroxychalcone
    • ACon1_000047
    • CHEBI:94010
    • HY-N0102R
    • HMS2233H18
    • HMS3262I03
    • 2,4''-dihydroxy-4-hydroxychalcone
    • HY-N0102
    • Tox21_500681
    • BDBM50042944
    • CCG-40334
    • CMLD3_000056
    • EBC-11105
    • EBC-17186
    • HB4213
    • LMPK12120096
    • MSK159848
    • s2404
    • SBB066136
    • Isoliquiritigenin, analytical standard
    • AKOS001590146
    • CS-1745
    • DB03285
    • FI24680
    • KS-5256
    • LP00681
    • SDCCGMLS-0066751.P001
    • SDCCGSBI-0050660.P004
    • NCGC00090504-01
    • NCGC00090504-02
    • NCGC00090504-03
    • NCGC00090504-04
    • NCGC00090504-05
    • NCGC00090504-06
    • NCGC00090504-07
    • NCGC00090504-08
    • NCGC00090504-24
    • NCGC00261366-01
    • AC-33981
    • ST081356
    • SY053102
    • EU-0100681
    • I0822
    • SW219658-1
    • C08650
    • I 3766
    • I11575
    • 961I295
    • F462708
    • 2',4'-Dihydroxy-3-(p-hydroxyphenyl)-Acrylophenone
    • Q3155537
    • SR-01000075499-1
    • SR-01000075499-5
    • BRD-K33583600-001-03-9
    • BRD-K33583600-001-04-7
    • BRD-K33583600-001-16-1
    • 1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-propenone
    • 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-prop-2-en-1-one
    • ILG
    • InChI=1/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3
    • isoliquiritigenin

  • Applications

    Isoliquiritigenin (CAS 961-29-5) is a plant-derived flavonoid with applications focused on research and product development. In cosmetics and personal care, it is viewed as a bioactive compound with antioxidant and anti-inflammatory properties and is considered for inclusion in skincare formulations at exploratory levels. In pharmaceutical and natural product research, it is evaluated as a potentially bioactive lead for the synthesis of flavonoid derivatives in medicinal chemistry. It is also used as an intermediate in the synthesis of flavonoid derivatives and related compounds. In agriculture and plant science, isoliquiritigenin is studied as a natural phytoalexin with potential roles in crop protection research. Additionally, it is evaluated for potential use in nutraceuticals or functional ingredients due to its observed bioactivity.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 29.41
    methanol 54.0
    isopropanol 29.9
    water 0.05
    ethyl acetate 27.49
    n-propanol 32.06
    acetone 96.42
    n-butanol 20.84
    acetonitrile 24.2
    DMF 67.91
    toluene 0.79
    isobutanol 12.97
    1,4-dioxane 78.27
    methyl acetate 40.04
    THF 375.32
    2-butanone 75.15
    n-pentanol 13.92
    sec-butanol 25.95
    n-hexane 0.04
    ethylene glycol 25.94
    NMP 21.32
    cyclohexane 0.03
    DMSO 540.11
    n-butyl acetate 11.29
    n-octanol 4.29
    chloroform 0.14
    n-propyl acetate 13.07
    acetic acid 33.49
    dichloromethane 0.05
    cyclohexanone 26.43
    propylene glycol 84.76
    isopropyl acetate 24.07
    DMAc 141.99
    2-ethoxyethanol 95.29
    isopentanol 19.01
    n-heptane 0.1
    ethyl formate 13.05
    1,2-dichloroethane 0.43
    n-hexanol 8.24
    2-methoxyethanol 229.89
    isobutyl acetate 7.72
    tetrachloromethane 0.1
    n-pentyl acetate 6.45
    transcutol 306.32
    n-heptanol 5.16
    ethylbenzene 0.76
    MIBK 28.45
    2-propoxyethanol 83.83
    tert-butanol 58.66
    MTBE 24.96
    2-butoxyethanol 29.44
    propionic acid 25.5
    o-xylene 1.0
    formic acid 21.77
    diethyl ether 10.8
    m-xylene 0.99
    p-xylene 0.88
    chlorobenzene 0.55
    dimethyl carbonate 22.48
    n-octane 0.06
    formamide 82.02
    cyclopentanone 65.78
    2-pentanone 37.67
    anisole 12.56
    cyclopentyl methyl ether 20.64
    gamma-butyrolactone 66.69
    1-methoxy-2-propanol 181.46
    pyridine 10.83
    3-pentanone 18.02
    furfural 32.83
    n-dodecane 0.15
    diethylene glycol 96.62
    diisopropyl ether 3.67
    tert-amyl alcohol 36.4
    acetylacetone 81.35
    n-hexadecane 0.18
    acetophenone 11.27
    methyl propionate 31.2
    isopentyl acetate 14.0
    trichloroethylene 1.43
    n-nonanol 4.98
    cyclohexanol 9.16
    benzyl alcohol 10.66
    2-ethylhexanol 5.34
    isooctanol 5.1
    dipropyl ether 10.64
    1,2-dichlorobenzene 0.85
    ethyl lactate 23.52
    propylene carbonate 20.18
    n-methylformamide 44.51
    2-pentanol 14.17
    n-pentane 0.03
    1-propoxy-2-propanol 57.44
    1-methoxy-2-propyl acetate 45.73
    2-(2-methoxypropoxy) propanol 54.7
    mesitylene 0.92
    ε-caprolactone 24.31
    p-cymene 1.47
    epichlorohydrin 65.45
    1,1,1-trichloroethane 0.7
    2-aminoethanol 64.09
    morpholine-4-carbaldehyde 64.02
    sulfolane 103.04
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 48.36
    n-hexyl acetate 10.12
    isooctane 0.16
    2-(2-butoxyethoxy)ethanol 76.16
    sec-butyl acetate 12.77
    tert-butyl acetate 40.61
    decalin 0.1
    glycerin 125.57
    diglyme 124.48
    acrylic acid 22.0
    isopropyl myristate 7.46
    n-butyric acid 25.76
    acetyl acetate 17.36
    di(2-ethylhexyl) phthalate 7.51
    ethyl propionate 16.12
    nitromethane 121.13
    1,2-diethoxyethane 47.43
    benzonitrile 4.98
    trioctyl phosphate 5.48
    1-bromopropane 0.26
    gamma-valerolactone 94.65
    n-decanol 4.15
    triethyl phosphate 11.75
    4-methyl-2-pentanol 10.93
    propionitrile 15.8
    vinylene carbonate 12.62
    1,1,2-trichlorotrifluoroethane 48.42
    DMS 17.17
    cumene 0.9
    2-octanol 3.03
    2-hexanone 19.43
    octyl acetate 7.95
    limonene 1.96
    1,2-dimethoxyethane 120.01
    ethyl orthosilicate 11.05
    tributyl phosphate 7.6
    diacetone alcohol 87.13
    N,N-dimethylaniline 7.03
    acrylonitrile 20.82
    aniline 4.63
    1,3-propanediol 82.21
    bromobenzene 0.31
    dibromomethane 0.05
    1,1,2,2-tetrachloroethane 2.54
    2-methyl-cyclohexyl acetate 13.16
    tetrabutyl urea 11.81
    diisobutyl methanol 7.25
    2-phenylethanol 10.92
    styrene 0.8
    dioctyl adipate 14.21
    dimethyl sulfate 38.77
    ethyl butyrate 14.29
    methyl lactate 53.81
    butyl lactate 15.03
    diethyl carbonate 12.09
    propanediol butyl ether 32.79
    triethyl orthoformate 16.95
    p-tert-butyltoluene 1.7
    methyl 4-tert-butylbenzoate 20.05
    morpholine 108.49
    tert-butylamine 11.61
    n-dodecanol 3.38
    dimethoxymethane 113.36
    ethylene carbonate 11.25
    cyrene 39.65
    2-ethoxyethyl acetate 21.07
    2-ethylhexyl acetate 8.41
    1,2,4-trichlorobenzene 1.7
    4-methylpyridine 6.7
    dibutyl ether 8.18
    2,6-dimethyl-4-heptanol 7.25
    DEF 24.55
    dimethyl isosorbide 86.33
    tetrachloroethylene 1.11
    eugenol 22.46
    triacetin 24.76
    span 80 27.07
    1,4-butanediol 20.0
    1,1-dichloroethane 0.29
    2-methyl-1-pentanol 13.27
    methyl formate 29.1
    2-methyl-1-butanol 15.45
    n-decane 0.18
    butyronitrile 11.36
    3,7-dimethyl-1-octanol 6.69
    1-chlorooctane 0.99
    1-chlorotetradecane 0.68
    n-nonane 0.11
    undecane 0.17
    tert-butylcyclohexane 0.16
    cyclooctane 0.03
    cyclopentanol 15.81
    tetrahydropyran 25.36
    tert-amyl methyl ether 18.92
    2,5,8-trioxanonane 100.59
    1-hexene 0.29
    2-isopropoxyethanol 52.9
    2,2,2-trifluoroethanol 9.65
    methyl butyrate 17.09

    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