Hispidol

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  • Identifiers

    CAS number
    5786-54-9

    Molecular formula
    C15H10O4

    SMILES
    C1=CC(=CC=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 59.57%
    Sweet 41.11%
    Spicy 39.59%
    Odorless 35.16%
    Vanilla 33.99%
    Balsamic 29.8%
    Bitter 29.2%
    Burnt 28.65%
    Medicinal 28.44%
    Nutty 26.48%

     

    Flavor
    Bitter 94.72%
    Lovage 20.31%
    Nitrile 19.68%
    Cedarleaf 19.5%
    Very strong 19.24%
    Odorless 19.16%
    Sweet-like 19.0%
    Indole 18.85%
    Parsley 18.84%
    Ripe apricot 18.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    9.78 (weak base)

    Molecular weight
    254.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    522°C

    Melting point expt.

    • 288 °C

    Flash point

    • 219.41 ˚C est.

  • Synonyms

    • Hispidol
    • 5786-54-9
    • 4',6-Dihydroxyaurone
    • (2Z)-6-hydroxy-2-[(4-hydroxyphenyl)methylidene]-1-benzofuran-3-one
    • CS1235I0WT
    • Isoliquiritigenin metabolite M6
    • NSC-356828
    • CHEBI:5731
    • 2-((4-Hydroxyphenyl)methylidene)-6-oxidanyl-1-benzofuran-3-one
    • (2Z)-6-Hydroxy-2-((4-hydroxyphenyl)methylene)-3(2H)-benzofuranone
    • 3(2H)-Benzofuranone, 6-hydroxy-2-((4-hydroxyphenyl)methylene)-, (2Z)-
    • DTXSID10422113
    • (2Z)-6-hydroxy-2-((4-hydroxyphenyl)methylidene)-1-benzofuran-3-one
    • 3(2H)-Benzofuranone, 6-hydroxy-2-[(4-hydroxyphenyl)methylene]-, (2Z)-
    • RefChem:922985
    • DTXCID00372956
    • 6-hydroxy-2-((4-hydroxyphenyl)methylidene)-1-benzofuran-3-one
    • 6,4''-DIHYDROXYAURONE
    • (Z)-Hispidol
    • (Z)-6-Hydroxy-2-(4-hydroxybenzylidene)benzofuran-3(2H)-one
    • (Z)-4',6-Dihydroxyaurone
    • CHEMBL426110
    • NSC356828
    • (2Z)-6-hydroxy-2-[(4-hydroxyphenyl)methylene]benzofuran-3-one
    • (2Z)-6-hydroxy-2-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one
    • Hispidol?
    • ZE-Hispidol
    • 92439-14-0
    • 6,4' -dihydroxy aurone
    • UNII-CS1235I0WT
    • 6,4'-DIHYDROXYAURONE
    • orb1302955
    • SCHEMBL5707753
    • SCHEMBL29435856
    • KEZLDSPIRVZOKZ-AUWJEWJLSA-N
    • BDBM50180260
    • NSC814362
    • AKOS001354021
    • CS-7503
    • FH45951
    • NSC 356828
    • NSC-814362
    • AC-38096
    • DA-74174
    • MS-23577
    • HY-102040
    • C08644
    • N16866
    • AB00767717-01
    • Benzofuran-6-ol-3-one, 2-[4-hydroxybenzylidene]-
    • Q27106875
    • 2-(4''-Hydroxybenzylidene)-6-hydroxybenzofuran-3(2H)-one
    • (Z)-2-(4-hydroxybenzylidene)-6-hydroxybenzofuran-3(2H)-one
    • (2Z)-6-Hydroxy-2-(4-hydroxybenzylidene)-1-benzofuran-3(2H)-one #
    • (2Z)-6-hydroxy-2-[(4-hydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one
    • 5786-54-9

  • Applications

    Hispidol (CAS 5786-54-9) is regarded as a synthetic intermediate and a research reagent in organic synthesis; in industry it may serve as a building block for pharmaceutical and agrochemical compounds, and as a precursor for dye/pigment chemistries and functional polymers; in cosmetics and personal care, it may be explored as an antioxidant and stabilizer in formulations; in coatings and inks, it can function as a feedstock for dyeing and color development; and it may be evaluated as a potential ligand or chelating agent in specialty chemistries, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.07
    methanol 19.88
    isopropanol 14.81
    water 0.06
    ethyl acetate 14.8
    n-propanol 12.24
    acetone 46.74
    n-butanol 11.5
    acetonitrile 26.97
    DMF 45.76
    toluene 1.24
    isobutanol 7.32
    1,4-dioxane 72.61
    methyl acetate 24.57
    THF 143.07
    2-butanone 43.3
    n-pentanol 10.68
    sec-butanol 13.86
    n-hexane 0.02
    ethylene glycol 19.15
    NMP 9.9
    cyclohexane 0.05
    DMSO 148.84
    n-butyl acetate 12.7
    n-octanol 7.89
    chloroform 1.03
    n-propyl acetate 13.6
    acetic acid 23.44
    dichloromethane 0.66
    cyclohexanone 25.88
    propylene glycol 34.8
    isopropyl acetate 18.18
    DMAc 94.07
    2-ethoxyethanol 72.22
    isopentanol 14.12
    n-heptane 0.12
    ethyl formate 10.65
    1,2-dichloroethane 1.62
    n-hexanol 7.62
    2-methoxyethanol 152.36
    isobutyl acetate 10.48
    tetrachloromethane 0.17
    n-pentyl acetate 10.12
    transcutol 348.07
    n-heptanol 6.96
    ethylbenzene 1.12
    MIBK 25.13
    2-propoxyethanol 70.75
    tert-butanol 28.75
    MTBE 11.38
    2-butoxyethanol 35.0
    propionic acid 15.0
    o-xylene 1.26
    formic acid 15.07
    diethyl ether 6.5
    m-xylene 1.26
    p-xylene 1.72
    chlorobenzene 1.2
    dimethyl carbonate 17.52
    n-octane 0.11
    formamide 50.16
    cyclopentanone 32.14
    2-pentanone 25.08
    anisole 14.58
    cyclopentyl methyl ether 11.38
    gamma-butyrolactone 32.09
    1-methoxy-2-propanol 121.33
    pyridine 16.09
    3-pentanone 13.31
    furfural 26.98
    n-dodecane 0.39
    diethylene glycol 93.57
    diisopropyl ether 2.74
    tert-amyl alcohol 18.11
    acetylacetone 57.76
    n-hexadecane 0.45
    acetophenone 14.79
    methyl propionate 17.63
    isopentyl acetate 15.28
    trichloroethylene 4.28
    n-nonanol 9.61
    cyclohexanol 9.6
    benzyl alcohol 15.28
    2-ethylhexanol 6.05
    isooctanol 7.45
    dipropyl ether 8.58
    1,2-dichlorobenzene 1.71
    ethyl lactate 21.01
    propylene carbonate 14.05
    n-methylformamide 27.48
    2-pentanol 9.28
    n-pentane 0.02
    1-propoxy-2-propanol 48.52
    1-methoxy-2-propyl acetate 38.03
    2-(2-methoxypropoxy) propanol 64.33
    mesitylene 1.17
    ε-caprolactone 20.32
    p-cymene 2.19
    epichlorohydrin 49.14
    1,1,1-trichloroethane 1.45
    2-aminoethanol 29.18
    morpholine-4-carbaldehyde 53.14
    sulfolane 40.17
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 22.32
    n-hexyl acetate 15.31
    isooctane 0.12
    2-(2-butoxyethoxy)ethanol 94.97
    sec-butyl acetate 12.72
    tert-butyl acetate 29.4
    decalin 0.14
    glycerin 77.32
    diglyme 144.89
    acrylic acid 16.32
    isopropyl myristate 12.09
    n-butyric acid 18.17
    acetyl acetate 14.19
    di(2-ethylhexyl) phthalate 11.18
    ethyl propionate 13.73
    nitromethane 77.49
    1,2-diethoxyethane 55.94
    benzonitrile 9.91
    trioctyl phosphate 7.99
    1-bromopropane 0.52
    gamma-valerolactone 62.9
    n-decanol 8.3
    triethyl phosphate 10.02
    4-methyl-2-pentanol 8.81
    propionitrile 20.32
    vinylene carbonate 12.68
    1,1,2-trichlorotrifluoroethane 38.21
    DMS 20.35
    cumene 1.31
    2-octanol 5.26
    2-hexanone 19.96
    octyl acetate 12.4
    limonene 2.38
    1,2-dimethoxyethane 108.1
    ethyl orthosilicate 9.84
    tributyl phosphate 10.56
    diacetone alcohol 64.36
    N,N-dimethylaniline 8.64
    acrylonitrile 29.34
    aniline 6.79
    1,3-propanediol 52.05
    bromobenzene 0.77
    dibromomethane 0.3
    1,1,2,2-tetrachloroethane 5.93
    2-methyl-cyclohexyl acetate 12.95
    tetrabutyl urea 16.56
    diisobutyl methanol 7.24
    2-phenylethanol 15.31
    styrene 1.34
    dioctyl adipate 17.94
    dimethyl sulfate 25.79
    ethyl butyrate 12.95
    methyl lactate 39.56
    butyl lactate 18.31
    diethyl carbonate 10.69
    propanediol butyl ether 44.43
    triethyl orthoformate 15.34
    p-tert-butyltoluene 2.38
    methyl 4-tert-butylbenzoate 21.64
    morpholine 76.92
    tert-butylamine 5.87
    n-dodecanol 6.93
    dimethoxymethane 88.69
    ethylene carbonate 11.66
    cyrene 34.68
    2-ethoxyethyl acetate 26.63
    2-ethylhexyl acetate 9.77
    1,2,4-trichlorobenzene 3.33
    4-methylpyridine 9.15
    dibutyl ether 13.18
    2,6-dimethyl-4-heptanol 7.24
    DEF 21.98
    dimethyl isosorbide 70.28
    tetrachloroethylene 2.32
    eugenol 28.49
    triacetin 30.02
    span 80 32.54
    1,4-butanediol 18.24
    1,1-dichloroethane 1.01
    2-methyl-1-pentanol 11.01
    methyl formate 20.6
    2-methyl-1-butanol 9.82
    n-decane 0.44
    butyronitrile 12.77
    3,7-dimethyl-1-octanol 10.44
    1-chlorooctane 2.33
    1-chlorotetradecane 1.76
    n-nonane 0.26
    undecane 0.41
    tert-butylcyclohexane 0.15
    cyclooctane 0.04
    cyclopentanol 10.25
    tetrahydropyran 19.46
    tert-amyl methyl ether 10.34
    2,5,8-trioxanonane 123.23
    1-hexene 0.23
    2-isopropoxyethanol 43.44
    2,2,2-trifluoroethanol 9.67
    methyl butyrate 15.1

    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