4,6,4'-Trihydroxyaurone

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  • Identifiers

    CAS number
    25078-14-2

    Molecular formula
    C15H10O5

    SMILES
    C1=CC(=CC=C1C=C2C(=O)C3=C(C=C(C=C3O2)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 56.16%
    Odorless 52.29%
    Spicy 32.15%
    Burnt 28.32%
    Vanilla 24.67%
    Bitter 24.63%
    Medicinal 24.55%
    Balsamic 24.2%
    Nutty 22.78%
    Sweet 22.56%

     

    Flavor
    Bitter 95.27%
    Odorless 23.15%
    Cedarleaf 20.23%
    Lovage 20.21%
    Nitrile 19.93%
    Sweet-like 19.81%
    Very strong 19.38%
    Parsley 19.33%
    Indole 19.02%
    Bland 18.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    10.09 (weak base)

    Molecular weight
    270.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    607°C

    Flash point

    • 237.89 ˚C est.

  • Synonyms

    • 4,6,4'-Trihydroxyaurone
    • 4,4a(2),6-Trihydroxyaurone
    • CHEBI:196251
    • DTXSID201313755
    • LMPK12130031
    • 25078-14-2
    • 4,6-dihydroxy-2-[(4-hydroxyphenyl)methylidene]-1-benzouran-3-one
    • 4,6-Dihydroxy-2-[(4-hydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one
    • 25078-14-2

  • Applications

    4,6,4'-Trihydroxyaurone (CAS 25078-14-2) is a polyhydroxy aurone commonly used as an intermediate in the synthesis of flavonoid-like compounds in organic and pharmaceutical R&D. It also serves as a pigment/colorant precursor for coatings, inks, and plastics, enabling color development in polymer formulations and specialty coatings. In cosmetics and personal care, it may be used as a colorant in color cosmetic formulations, subject to regulatory compliance. Additionally, it is sometimes evaluated as a research reagent or scaffold for flavonoid chemistry to support the development of new functional materials or bioactive derivatives. Its use is formulation-dependent and subject to local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.94
    methanol 36.38
    isopropanol 31.37
    water 0.05
    ethyl acetate 29.18
    n-propanol 18.75
    acetone 162.36
    n-butanol 22.4
    acetonitrile 54.16
    DMF 288.29
    toluene 0.54
    isobutanol 13.86
    1,4-dioxane 66.67
    methyl acetate 49.52
    THF 366.32
    2-butanone 93.55
    n-pentanol 15.82
    sec-butanol 22.07
    n-hexane 0.03
    ethylene glycol 50.5
    NMP 83.67
    cyclohexane 0.04
    DMSO 1517.08
    n-butyl acetate 20.59
    n-octanol 9.76
    chloroform 0.47
    n-propyl acetate 26.06
    acetic acid 40.53
    dichloromethane 0.22
    cyclohexanone 58.56
    propylene glycol 95.1
    isopropyl acetate 29.12
    DMAc 258.45
    2-ethoxyethanol 124.44
    isopentanol 26.59
    n-heptane 0.07
    ethyl formate 26.09
    1,2-dichloroethane 1.12
    n-hexanol 9.4
    2-methoxyethanol 351.64
    isobutyl acetate 14.25
    tetrachloromethane 0.13
    n-pentyl acetate 11.83
    transcutol 329.44
    n-heptanol 7.15
    ethylbenzene 0.59
    MIBK 41.64
    2-propoxyethanol 123.95
    tert-butanol 61.3
    MTBE 13.86
    2-butoxyethanol 44.93
    propionic acid 29.82
    o-xylene 0.66
    formic acid 25.23
    diethyl ether 7.08
    m-xylene 0.74
    p-xylene 0.95
    chlorobenzene 0.62
    dimethyl carbonate 35.15
    n-octane 0.06
    formamide 85.23
    cyclopentanone 144.14
    2-pentanone 63.5
    anisole 9.58
    cyclopentyl methyl ether 19.79
    gamma-butyrolactone 119.16
    1-methoxy-2-propanol 304.83
    pyridine 11.85
    3-pentanone 24.47
    furfural 57.56
    n-dodecane 0.23
    diethylene glycol 176.04
    diisopropyl ether 2.45
    tert-amyl alcohol 28.68
    acetylacetone 123.73
    n-hexadecane 0.26
    acetophenone 16.35
    methyl propionate 38.77
    isopentyl acetate 20.48
    trichloroethylene 2.75
    n-nonanol 10.25
    cyclohexanol 13.69
    benzyl alcohol 13.76
    2-ethylhexanol 6.5
    isooctanol 7.0
    dipropyl ether 9.04
    1,2-dichlorobenzene 1.02
    ethyl lactate 47.94
    propylene carbonate 37.65
    n-methylformamide 110.95
    2-pentanol 15.74
    n-pentane 0.03
    1-propoxy-2-propanol 93.51
    1-methoxy-2-propyl acetate 60.12
    2-(2-methoxypropoxy) propanol 77.52
    mesitylene 0.72
    ε-caprolactone 45.75
    p-cymene 1.3
    epichlorohydrin 93.65
    1,1,1-trichloroethane 1.36
    2-aminoethanol 61.08
    morpholine-4-carbaldehyde 127.89
    sulfolane 226.83
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 44.04
    n-hexyl acetate 19.85
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 111.11
    sec-butyl acetate 18.33
    tert-butyl acetate 34.59
    decalin 0.08
    glycerin 209.93
    diglyme 150.75
    acrylic acid 31.78
    isopropyl myristate 12.33
    n-butyric acid 39.34
    acetyl acetate 19.23
    di(2-ethylhexyl) phthalate 11.9
    ethyl propionate 24.62
    nitromethane 224.41
    1,2-diethoxyethane 46.51
    benzonitrile 10.61
    trioctyl phosphate 10.75
    1-bromopropane 0.51
    gamma-valerolactone 184.04
    n-decanol 8.84
    triethyl phosphate 13.59
    4-methyl-2-pentanol 12.17
    propionitrile 37.61
    vinylene carbonate 22.86
    1,1,2-trichlorotrifluoroethane 79.97
    DMS 26.32
    cumene 0.65
    2-octanol 5.77
    2-hexanone 38.16
    octyl acetate 14.82
    limonene 1.75
    1,2-dimethoxyethane 172.71
    ethyl orthosilicate 11.06
    tributyl phosphate 14.15
    diacetone alcohol 119.51
    N,N-dimethylaniline 6.46
    acrylonitrile 59.01
    aniline 4.15
    1,3-propanediol 110.76
    bromobenzene 0.34
    dibromomethane 0.16
    1,1,2,2-tetrachloroethane 4.81
    2-methyl-cyclohexyl acetate 15.81
    tetrabutyl urea 22.97
    diisobutyl methanol 7.69
    2-phenylethanol 14.05
    styrene 0.59
    dioctyl adipate 19.78
    dimethyl sulfate 66.46
    ethyl butyrate 19.17
    methyl lactate 101.17
    butyl lactate 29.23
    diethyl carbonate 14.43
    propanediol butyl ether 67.19
    triethyl orthoformate 19.87
    p-tert-butyltoluene 1.41
    methyl 4-tert-butylbenzoate 22.63
    morpholine 109.26
    tert-butylamine 8.57
    n-dodecanol 7.28
    dimethoxymethane 176.47
    ethylene carbonate 24.19
    cyrene 59.04
    2-ethoxyethyl acetate 26.89
    2-ethylhexyl acetate 12.04
    1,2,4-trichlorobenzene 2.2
    4-methylpyridine 10.87
    dibutyl ether 11.69
    2,6-dimethyl-4-heptanol 7.69
    DEF 50.59
    dimethyl isosorbide 99.21
    tetrachloroethylene 1.41
    eugenol 29.89
    triacetin 33.76
    span 80 41.63
    1,4-butanediol 36.22
    1,1-dichloroethane 1.02
    2-methyl-1-pentanol 14.86
    methyl formate 75.16
    2-methyl-1-butanol 16.1
    n-decane 0.25
    butyronitrile 28.18
    3,7-dimethyl-1-octanol 11.8
    1-chlorooctane 1.57
    1-chlorotetradecane 1.16
    n-nonane 0.16
    undecane 0.24
    tert-butylcyclohexane 0.09
    cyclooctane 0.03
    cyclopentanol 26.26
    tetrahydropyran 19.85
    tert-amyl methyl ether 11.48
    2,5,8-trioxanonane 127.25
    1-hexene 0.24
    2-isopropoxyethanol 68.33
    2,2,2-trifluoroethanol 17.02
    methyl butyrate 32.8

    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