Licochalcone B

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  • Identifiers

    CAS number
    58749-23-8

    Molecular formula
    C16H14O5

    SMILES
    COC1=C(C=CC(=C1O)O)/C=C/C(=O)C2=CC=C(C=C2)O

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 45.51%
    Phenolic 44.99%
    Spicy 44.34%
    Odorless 43.6%
    Balsamic 40.15%
    Burnt 33.97%
    Sweet 29.57%
    Smoky 28.86%
    Savory 27.85%
    Milky 25.93%

     

    Flavor
    Bitter 86.54%
    Odorless 32.0%
    Bland 22.39%
    Sweet-like 20.74%
    Lovage 20.37%
    Nitrile 20.15%
    Parsley 19.89%
    Mild 19.78%
    Curry 19.39%
    Cedarleaf 19.32%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    10.64 (weak base)

    Molecular weight
    286.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    614°C

    Melting point expt.

    • 195 - 197 °C

    Flash point

    • 223.99 ˚C est.

  • Synonyms

    • Licochalcone B
    • 58749-23-8
    • (E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
    • G7383L14F6
    • DTXSID601317442
    • RefChem:41315
    • DTXCID301747254
    • LicochalconeB
    • (2E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
    • (E)-3-(3,4-Dihydroxy-2-methoxy-phenyl)-1-(4-hydroxy-phenyl)-propenone
    • A1L5R
    • (E)-3-(3,4-dihydroxy-2-methoxy-phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
    • 1005324-90-2
    • Licochalcone-B
    • UNII-G7383L14F6
    • MFCD20527294
    • 3,4,4'-trihydroxy-2-methoxychalcone
    • LICOCHALCONE B [MI]
    • SCHEMBL633001
    • orb1302361
    • 3-(3,4-dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
    • CHEMBL2437372
    • SCHEMBL30559523
    • CHEBI:174733
    • GLXC-04267
    • HY-N0373
    • LMPK12120434
    • (E)-3-(3,4-Dihydroxy-2-methoxy-phenyl)-1-(4-hydroxy-phenyl)propenone
    • AKOS030573586
    • EBC-519394
    • (2E)-3-(3,4-DIHYDROXY-2-METHOXYPHENYL)-1-(4-HYDROXYPHENYL)-2-PROPEN-1-ONE
    • AC-34242
    • MS-24085
    • CS-0008918
    • Q27278876
    • 3-(3,4-Dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-2-propen-1-one
    • 2-PROPEN-1-ONE, 3-(3,4-DIHYDROXY-2-METHOXYPHENYL)-1-(4-HYDROXYPHENYL)-, (2E)-
    • 2-PROPEN-1-ONE, 3-(3,4-DIHYDROXY-2-METHOXYPHENYL)-1-(4-HYDROXYPHENYL)-, (E)-
    • 58749-23-8

  • Applications

    Licochalcone B, CAS 58749-23-8, is used as a functional ingredient and process aid in a range of industrial and consumer formulations. In cosmetics and personal care, it is evaluated as an antioxidant and stabilizer for skin- and hair-care products. In the polymers/plastics sector, it is added as a stabilizer and antioxidant to improve durability and light/thermal stability. In coatings and inks, it is studied as a stabilizing additive to enhance shelf life and performance of formulations. In industrial manufacturing, it serves as a synthetic intermediate for chalcone and related compounds. Additionally, due to antimicrobial properties observed in related chalcones, it is being considered for inclusion in cleaning formulations or surface coatings where such performance may be beneficial.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.77
    methanol 17.65
    isopropanol 14.33
    water 0.02
    ethyl acetate 23.07
    n-propanol 21.24
    acetone 39.53
    n-butanol 11.89
    acetonitrile 8.41
    DMF 62.62
    toluene 2.91
    isobutanol 8.14
    1,4-dioxane 47.83
    methyl acetate 27.54
    THF 355.12
    2-butanone 43.7
    n-pentanol 9.45
    sec-butanol 22.76
    n-hexane 0.26
    ethylene glycol 13.21
    NMP 29.99
    cyclohexane 0.22
    DMSO 265.06
    n-butyl acetate 7.53
    n-octanol 4.54
    chloroform 4.48
    n-propyl acetate 10.05
    acetic acid 23.86
    dichloromethane 5.1
    cyclohexanone 27.66
    propylene glycol 19.44
    isopropyl acetate 15.59
    DMAc 95.63
    2-ethoxyethanol 55.61
    isopentanol 9.32
    n-heptane 0.56
    ethyl formate 8.2
    1,2-dichloroethane 7.44
    n-hexanol 7.68
    2-methoxyethanol 96.99
    isobutyl acetate 4.28
    tetrachloromethane 0.59
    n-pentyl acetate 7.74
    transcutol 98.65
    n-heptanol 5.93
    ethylbenzene 1.99
    MIBK 16.03
    2-propoxyethanol 41.37
    tert-butanol 33.34
    MTBE 25.33
    2-butoxyethanol 20.0
    propionic acid 18.11
    o-xylene 2.56
    formic acid 18.98
    diethyl ether 21.9
    m-xylene 2.04
    p-xylene 1.83
    chlorobenzene 1.88
    dimethyl carbonate 23.62
    n-octane 0.35
    formamide 64.31
    cyclopentanone 75.69
    2-pentanone 25.74
    anisole 13.25
    cyclopentyl methyl ether 31.91
    gamma-butyrolactone 71.48
    1-methoxy-2-propanol 74.19
    pyridine 17.9
    3-pentanone 21.22
    furfural 32.05
    n-dodecane 0.36
    diethylene glycol 45.24
    diisopropyl ether 4.95
    tert-amyl alcohol 32.54
    acetylacetone 43.44
    n-hexadecane 0.42
    acetophenone 11.52
    methyl propionate 29.37
    isopentyl acetate 8.46
    trichloroethylene 13.82
    n-nonanol 5.33
    cyclohexanol 11.43
    benzyl alcohol 10.51
    2-ethylhexanol 5.11
    isooctanol 5.29
    dipropyl ether 11.31
    1,2-dichlorobenzene 2.49
    ethyl lactate 13.01
    propylene carbonate 13.54
    n-methylformamide 32.32
    2-pentanol 11.81
    n-pentane 0.24
    1-propoxy-2-propanol 30.46
    1-methoxy-2-propyl acetate 24.99
    2-(2-methoxypropoxy) propanol 28.98
    mesitylene 1.51
    ε-caprolactone 21.97
    p-cymene 2.26
    epichlorohydrin 85.27
    1,1,1-trichloroethane 3.31
    2-aminoethanol 23.13
    morpholine-4-carbaldehyde 47.51
    sulfolane 99.83
    2,2,4-trimethylpentane 0.48
    2-methyltetrahydrofuran 55.81
    n-hexyl acetate 10.04
    isooctane 0.28
    2-(2-butoxyethoxy)ethanol 35.7
    sec-butyl acetate 7.88
    tert-butyl acetate 25.03
    decalin 0.38
    glycerin 45.28
    diglyme 69.98
    acrylic acid 17.62
    isopropyl myristate 5.64
    n-butyric acid 13.87
    acetyl acetate 12.4
    di(2-ethylhexyl) phthalate 5.42
    ethyl propionate 13.18
    nitromethane 68.3
    1,2-diethoxyethane 26.21
    benzonitrile 5.31
    trioctyl phosphate 4.33
    1-bromopropane 3.65
    gamma-valerolactone 63.55
    n-decanol 4.33
    triethyl phosphate 8.29
    4-methyl-2-pentanol 6.43
    propionitrile 10.95
    vinylene carbonate 10.96
    1,1,2-trichlorotrifluoroethane 44.78
    DMS 14.13
    cumene 1.63
    2-octanol 4.11
    2-hexanone 12.96
    octyl acetate 6.66
    limonene 3.53
    1,2-dimethoxyethane 73.65
    ethyl orthosilicate 8.23
    tributyl phosphate 5.28
    diacetone alcohol 42.7
    N,N-dimethylaniline 8.84
    acrylonitrile 16.05
    aniline 8.29
    1,3-propanediol 31.47
    bromobenzene 1.43
    dibromomethane 2.62
    1,1,2,2-tetrachloroethane 12.43
    2-methyl-cyclohexyl acetate 8.67
    tetrabutyl urea 8.67
    diisobutyl methanol 5.4
    2-phenylethanol 10.04
    styrene 2.2
    dioctyl adipate 10.21
    dimethyl sulfate 45.27
    ethyl butyrate 9.79
    methyl lactate 28.89
    butyl lactate 10.04
    diethyl carbonate 7.33
    propanediol butyl ether 16.81
    triethyl orthoformate 11.08
    p-tert-butyltoluene 2.48
    methyl 4-tert-butylbenzoate 16.27
    morpholine 69.36
    tert-butylamine 9.58
    n-dodecanol 3.49
    dimethoxymethane 99.74
    ethylene carbonate 9.24
    cyrene 27.09
    2-ethoxyethyl acetate 17.89
    2-ethylhexyl acetate 5.48
    1,2,4-trichlorobenzene 4.18
    4-methylpyridine 10.76
    dibutyl ether 7.96
    2,6-dimethyl-4-heptanol 5.4
    DEF 26.77
    dimethyl isosorbide 42.93
    tetrachloroethylene 7.06
    eugenol 16.68
    triacetin 17.96
    span 80 16.18
    1,4-butanediol 10.25
    1,1-dichloroethane 3.54
    2-methyl-1-pentanol 8.68
    methyl formate 23.6
    2-methyl-1-butanol 10.24
    n-decane 0.62
    butyronitrile 6.74
    3,7-dimethyl-1-octanol 5.28
    1-chlorooctane 2.54
    1-chlorotetradecane 1.22
    n-nonane 0.49
    undecane 0.46
    tert-butylcyclohexane 0.38
    cyclooctane 0.19
    cyclopentanol 17.56
    tetrahydropyran 37.04
    tert-amyl methyl ether 22.17
    2,5,8-trioxanonane 55.31
    1-hexene 1.51
    2-isopropoxyethanol 30.4
    2,2,2-trifluoroethanol 9.84
    methyl butyrate 13.45

    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