6-[(3,4-Dihydroxyphenyl)methylene]-3-hydroxy-4-(4-hydroxyphenyl)-2H-pyran-2,5(6H)-dione

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  • Identifiers

    CAS number
    41744-33-6

    Molecular formula
    C18H12O7

    SMILES
    C1=CC(=CC=C1C2=C(C(=CC3=CC(=C(C=C3)O)O)OC(=O)C2=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 57.22%
    Phenolic 46.22%
    Burnt 36.62%
    Spicy 29.89%
    Vanilla 28.17%
    Caramellic 25.04%
    Balsamic 24.0%
    Savory 22.77%
    Bitter 22.17%
    Smoky 20.66%

     

    Flavor
    Bitter 89.31%
    Odorless 27.06%
    Lovage 20.93%
    Sweet-like 20.76%
    Nitrile 20.32%
    Bland 20.11%
    Cedarleaf 19.79%
    Parsley 19.41%
    Very strong 19.3%
    Fenugreek 19.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.79 (weak base)

    Molecular weight
    340.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    916°C

    Flash point

    • 257.52 ˚C est.

  • Synonyms

    • DTXSID001125291
    • 41744-33-6
    • 6-[(3,4-Dihydroxyphenyl)methylene]-3-hydroxy-4-(4-hydroxyphenyl)-2H-pyran-2,5(6H)-dione
    • 6-[(3,4-Dihydroxyphenyl)methylidene]-3-hydroxy-4-(4-hydroxyphenyl)-2H-pyran-2,5(6H)-dione
    • 41744-33-6

  • Applications

    Often regarded as a useful synthesis intermediate across pharmaceutical and colorant chemistry, it serves as a platform for polyphenol-derived compounds. It is also studied as a stabilizer and antioxidant additive for polymer systems, coatings, and inks, helping to improve durability under heat and light exposure. Additionally, it can act as a building block for the synthesis of colorants and dyes used in coatings and printing applications. As a scaffold for polyphenolic materials, it is explored as a metal-chelating agent and component for advanced materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 40.13
    methanol 35.18
    isopropanol 28.69
    water 0.07
    ethyl acetate 17.64
    n-propanol 41.34
    acetone 61.77
    n-butanol 20.32
    acetonitrile 8.75
    DMF 107.01
    toluene 3.33
    isobutanol 11.64
    1,4-dioxane 41.72
    methyl acetate 26.69
    THF 266.68
    2-butanone 70.0
    n-pentanol 9.59
    sec-butanol 29.25
    n-hexane 0.04
    ethylene glycol 25.18
    NMP 41.52
    cyclohexane 0.07
    DMSO 248.51
    n-butyl acetate 4.24
    n-octanol 6.17
    chloroform 0.26
    n-propyl acetate 5.76
    acetic acid 24.19
    dichloromethane 0.36
    cyclohexanone 28.68
    propylene glycol 24.9
    isopropyl acetate 10.73
    DMAc 158.71
    2-ethoxyethanol 67.75
    isopentanol 11.84
    n-heptane 0.1
    ethyl formate 7.62
    1,2-dichloroethane 1.43
    n-hexanol 6.12
    2-methoxyethanol 198.58
    isobutyl acetate 1.45
    tetrachloromethane 0.08
    n-pentyl acetate 5.66
    transcutol 48.04
    n-heptanol 6.59
    ethylbenzene 1.2
    MIBK 11.2
    2-propoxyethanol 43.38
    tert-butanol 32.28
    MTBE 13.21
    2-butoxyethanol 21.44
    propionic acid 17.03
    o-xylene 2.08
    formic acid 23.52
    diethyl ether 13.22
    m-xylene 1.6
    p-xylene 0.89
    chlorobenzene 0.56
    dimethyl carbonate 14.51
    n-octane 0.11
    formamide 69.53
    cyclopentanone 68.88
    2-pentanone 32.36
    anisole 6.28
    cyclopentyl methyl ether 20.25
    gamma-butyrolactone 51.67
    1-methoxy-2-propanol 101.32
    pyridine 25.27
    3-pentanone 16.32
    furfural 16.91
    n-dodecane 0.17
    diethylene glycol 41.04
    diisopropyl ether 1.71
    tert-amyl alcohol 28.01
    acetylacetone 36.48
    n-hexadecane 0.2
    acetophenone 6.28
    methyl propionate 26.88
    isopentyl acetate 3.79
    trichloroethylene 2.51
    n-nonanol 6.88
    cyclohexanol 11.75
    benzyl alcohol 7.93
    2-ethylhexanol 2.75
    isooctanol 4.35
    dipropyl ether 5.31
    1,2-dichlorobenzene 0.43
    ethyl lactate 6.8
    propylene carbonate 6.36
    n-methylformamide 54.87
    2-pentanol 11.22
    n-pentane 0.07
    1-propoxy-2-propanol 23.44
    1-methoxy-2-propyl acetate 13.49
    2-(2-methoxypropoxy) propanol 17.58
    mesitylene 0.76
    ε-caprolactone 20.54
    p-cymene 0.85
    epichlorohydrin 50.48
    1,1,1-trichloroethane 0.47
    2-aminoethanol 43.19
    morpholine-4-carbaldehyde 41.86
    sulfolane 55.26
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 47.55
    n-hexyl acetate 7.17
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 28.73
    sec-butyl acetate 3.66
    tert-butyl acetate 13.57
    decalin 0.07
    glycerin 52.99
    diglyme 43.55
    acrylic acid 14.42
    isopropyl myristate 3.71
    n-butyric acid 14.05
    acetyl acetate 4.94
    di(2-ethylhexyl) phthalate 2.59
    ethyl propionate 6.95
    nitromethane 57.37
    1,2-diethoxyethane 14.48
    benzonitrile 2.62
    trioctyl phosphate 2.7
    1-bromopropane 0.97
    gamma-valerolactone 68.84
    n-decanol 5.18
    triethyl phosphate 2.42
    4-methyl-2-pentanol 4.48
    propionitrile 11.54
    vinylene carbonate 4.51
    1,1,2-trichlorotrifluoroethane 23.45
    DMS 5.68
    cumene 0.61
    2-octanol 4.68
    2-hexanone 10.42
    octyl acetate 5.54
    limonene 1.21
    1,2-dimethoxyethane 59.52
    ethyl orthosilicate 2.47
    tributyl phosphate 2.47
    diacetone alcohol 40.79
    N,N-dimethylaniline 3.89
    acrylonitrile 15.33
    aniline 10.03
    1,3-propanediol 59.6
    bromobenzene 0.33
    dibromomethane 0.21
    1,1,2,2-tetrachloroethane 2.45
    2-methyl-cyclohexyl acetate 2.85
    tetrabutyl urea 5.61
    diisobutyl methanol 2.24
    2-phenylethanol 6.88
    styrene 1.13
    dioctyl adipate 5.22
    dimethyl sulfate 19.97
    ethyl butyrate 3.96
    methyl lactate 25.97
    butyl lactate 6.69
    diethyl carbonate 2.27
    propanediol butyl ether 14.7
    triethyl orthoformate 3.81
    p-tert-butyltoluene 0.95
    methyl 4-tert-butylbenzoate 8.46
    morpholine 83.47
    tert-butylamine 6.82
    n-dodecanol 3.62
    dimethoxymethane 97.88
    ethylene carbonate 4.07
    cyrene 13.73
    2-ethoxyethyl acetate 11.32
    2-ethylhexyl acetate 2.2
    1,2,4-trichlorobenzene 0.97
    4-methylpyridine 13.24
    dibutyl ether 5.25
    2,6-dimethyl-4-heptanol 2.24
    DEF 28.48
    dimethyl isosorbide 21.27
    tetrachloroethylene 1.43
    eugenol 8.68
    triacetin 6.8
    span 80 10.97
    1,4-butanediol 12.8
    1,1-dichloroethane 0.77
    2-methyl-1-pentanol 6.54
    methyl formate 28.74
    2-methyl-1-butanol 12.2
    n-decane 0.28
    butyronitrile 6.66
    3,7-dimethyl-1-octanol 4.13
    1-chlorooctane 1.42
    1-chlorotetradecane 0.64
    n-nonane 0.2
    undecane 0.21
    tert-butylcyclohexane 0.06
    cyclooctane 0.05
    cyclopentanol 20.07
    tetrahydropyran 30.05
    tert-amyl methyl ether 12.77
    2,5,8-trioxanonane 34.82
    1-hexene 0.4
    2-isopropoxyethanol 25.72
    2,2,2-trifluoroethanol 5.79
    methyl butyrate 7.79

    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