Hispolon

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  • Identifiers

    CAS number
    173933-40-9

    Molecular formula
    C12H12O4

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

    Safety labels

  • Odor profile

    Fragrance
    Spicy 45.88%
    Vanilla 38.22%
    Balsamic 37.88%
    Odorless 36.0%
    Sweet 34.89%
    Burnt 34.19%
    Phenolic 32.6%
    Savory 28.12%
    Caramellic 26.56%
    Meaty 26.37%

     

    Flavor
    Odorless 39.19%
    Bitter 30.51%
    Mild 30.04%
    Phenolic 28.0%
    Nutty 25.6%
    Very mild 22.2%
    Cadaverous 21.38%
    Sweet 20.99%
    Nitrile 20.64%
    Ethyl benzoate 20.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    10.98 (weak base)

    Molecular weight
    220.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    427°C

    Flash point

    • 206.36 ˚C est.

  • Synonyms

    • hispolon
    • 173933-40-9
    • (3Z,5E)-6-(3,4-dihydroxyphenyl)-4-hydroxyhexa-3,5-dien-2-one
    • DTXSID701045719
    • RefChem:146573
    • DTXCID101527646
    • HISPOLON(P)
    • (3Z,5E)-6-(3,4-dihydroxyphenyl)-4-hydroxy-hexa-3,5-dien-2-one
    • CHEMBL452722
    • orb1685611
    • SCHEMBL15917284
    • CHEBI:212795
    • EX-A4869
    • AKOS015896251
    • EBC-617077
    • BH171710
    • DA-64172
    • MS-23223
    • HY-150521
    • CS-0609327
    • E88922
    • Q15634151
    • 173933-40-9

  • Applications

    Hispolon, CAS 173933-40-9, is a natural polyphenol derived from fungi such as Phellinus igniarius and is evaluated for several industrial uses. In cosmetics and personal care, it is studied as an antioxidant active ingredient and functional component in formulations. In pharmaceutical research, it is explored as a lead structure in medicinal chemistry and is examined for various biological activities in laboratory studies. In coatings, inks, and polymer materials, it can act as a natural antioxidant additive and stabilizer, and it may serve as a chemical intermediate for the synthesis of organic materials. In agriculture, it is investigated for antifungal activity and as a lead for agrochemical research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 93.97
    methanol 119.68
    isopropanol 67.58
    water 0.37
    ethyl acetate 19.82
    n-propanol 65.39
    acetone 134.03
    n-butanol 41.56
    acetonitrile 20.2
    DMF 203.57
    toluene 0.71
    isobutanol 27.0
    1,4-dioxane 42.65
    methyl acetate 35.26
    THF 478.95
    2-butanone 73.57
    n-pentanol 30.0
    sec-butanol 52.26
    n-hexane 0.28
    ethylene glycol 50.58
    NMP 64.53
    cyclohexane 0.08
    DMSO 587.52
    n-butyl acetate 12.86
    n-octanol 10.76
    chloroform 0.71
    n-propyl acetate 16.23
    acetic acid 44.98
    dichloromethane 0.3
    cyclohexanone 31.42
    propylene glycol 81.94
    isopropyl acetate 15.75
    DMAc 256.15
    2-ethoxyethanol 122.08
    isopentanol 34.46
    n-heptane 0.35
    ethyl formate 16.34
    1,2-dichloroethane 1.21
    n-hexanol 23.89
    2-methoxyethanol 213.53
    isobutyl acetate 8.51
    tetrachloromethane 0.42
    n-pentyl acetate 7.65
    transcutol 122.86
    n-heptanol 12.01
    ethylbenzene 1.53
    MIBK 28.12
    2-propoxyethanol 86.83
    tert-butanol 134.31
    MTBE 34.16
    2-butoxyethanol 35.5
    propionic acid 31.88
    o-xylene 1.49
    formic acid 51.16
    diethyl ether 17.72
    m-xylene 1.39
    p-xylene 1.74
    chlorobenzene 0.76
    dimethyl carbonate 19.61
    n-octane 0.22
    formamide 119.79
    cyclopentanone 93.5
    2-pentanone 42.69
    anisole 15.77
    cyclopentyl methyl ether 29.04
    gamma-butyrolactone 78.44
    1-methoxy-2-propanol 141.31
    pyridine 9.27
    3-pentanone 18.76
    furfural 37.2
    n-dodecane 0.41
    diethylene glycol 99.29
    diisopropyl ether 4.78
    tert-amyl alcohol 76.03
    acetylacetone 47.0
    n-hexadecane 0.45
    acetophenone 15.12
    methyl propionate 27.69
    isopentyl acetate 14.86
    trichloroethylene 3.13
    n-nonanol 10.82
    cyclohexanol 15.66
    benzyl alcohol 15.52
    2-ethylhexanol 11.77
    isooctanol 10.09
    dipropyl ether 11.62
    1,2-dichlorobenzene 1.48
    ethyl lactate 24.82
    propylene carbonate 21.12
    n-methylformamide 86.48
    2-pentanol 27.23
    n-pentane 0.15
    1-propoxy-2-propanol 52.84
    1-methoxy-2-propyl acetate 31.56
    2-(2-methoxypropoxy) propanol 46.47
    mesitylene 1.34
    ε-caprolactone 24.4
    p-cymene 2.5
    epichlorohydrin 61.35
    1,1,1-trichloroethane 1.59
    2-aminoethanol 89.49
    morpholine-4-carbaldehyde 77.44
    sulfolane 121.5
    2,2,4-trimethylpentane 0.54
    2-methyltetrahydrofuran 75.68
    n-hexyl acetate 13.34
    isooctane 0.41
    2-(2-butoxyethoxy)ethanol 56.84
    sec-butyl acetate 11.7
    tert-butyl acetate 29.0
    decalin 0.36
    glycerin 116.93
    diglyme 82.97
    acrylic acid 27.63
    isopropyl myristate 7.44
    n-butyric acid 28.11
    acetyl acetate 9.6
    di(2-ethylhexyl) phthalate 9.07
    ethyl propionate 17.12
    nitromethane 92.91
    1,2-diethoxyethane 23.2
    benzonitrile 6.38
    trioctyl phosphate 7.33
    1-bromopropane 0.9
    gamma-valerolactone 77.93
    n-decanol 8.65
    triethyl phosphate 12.07
    4-methyl-2-pentanol 17.94
    propionitrile 18.4
    vinylene carbonate 13.65
    1,1,2-trichlorotrifluoroethane 51.3
    DMS 13.45
    cumene 1.9
    2-octanol 7.09
    2-hexanone 24.25
    octyl acetate 9.46
    limonene 3.59
    1,2-dimethoxyethane 137.73
    ethyl orthosilicate 11.21
    tributyl phosphate 8.81
    diacetone alcohol 71.79
    N,N-dimethylaniline 12.23
    acrylonitrile 21.71
    aniline 5.64
    1,3-propanediol 93.14
    bromobenzene 0.45
    dibromomethane 0.25
    1,1,2,2-tetrachloroethane 4.73
    2-methyl-cyclohexyl acetate 13.61
    tetrabutyl urea 14.43
    diisobutyl methanol 9.12
    2-phenylethanol 15.23
    styrene 1.45
    dioctyl adipate 13.25
    dimethyl sulfate 44.93
    ethyl butyrate 13.81
    methyl lactate 40.96
    butyl lactate 15.39
    diethyl carbonate 10.46
    propanediol butyl ether 36.93
    triethyl orthoformate 13.8
    p-tert-butyltoluene 2.78
    methyl 4-tert-butylbenzoate 21.59
    morpholine 89.03
    tert-butylamine 31.88
    n-dodecanol 6.63
    dimethoxymethane 114.93
    ethylene carbonate 11.39
    cyrene 41.26
    2-ethoxyethyl acetate 15.12
    2-ethylhexyl acetate 9.45
    1,2,4-trichlorobenzene 2.54
    4-methylpyridine 8.75
    dibutyl ether 9.38
    2,6-dimethyl-4-heptanol 9.12
    DEF 36.52
    dimethyl isosorbide 62.97
    tetrachloroethylene 2.62
    eugenol 25.42
    triacetin 18.08
    span 80 27.71
    1,4-butanediol 34.57
    1,1-dichloroethane 0.77
    2-methyl-1-pentanol 25.25
    methyl formate 49.86
    2-methyl-1-butanol 29.19
    n-decane 0.6
    butyronitrile 15.44
    3,7-dimethyl-1-octanol 11.72
    1-chlorooctane 2.79
    1-chlorotetradecane 1.41
    n-nonane 0.45
    undecane 0.5
    tert-butylcyclohexane 0.53
    cyclooctane 0.08
    cyclopentanol 28.59
    tetrahydropyran 26.33
    tert-amyl methyl ether 28.85
    2,5,8-trioxanonane 72.6
    1-hexene 1.95
    2-isopropoxyethanol 60.37
    2,2,2-trifluoroethanol 17.26
    methyl butyrate 22.95

    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