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

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  • Identifiers

    CAS number
    41744-34-7

    Molecular formula
    C18H12O8

    SMILES
    C1=CC(=C(C=C1C=C2C(=C(C(=O)C(=O)O2)C3=CC(=C(C=C3)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 65.4%
    Phenolic 41.98%
    Burnt 37.41%
    Spicy 24.24%
    Vanilla 22.89%
    Caramellic 21.82%
    Balsamic 21.62%
    Savory 21.54%
    Smoky 20.11%
    Bitter 17.92%

     

    Flavor
    Bitter 88.67%
    Odorless 28.72%
    Bland 21.95%
    Sweet-like 21.57%
    Lovage 20.55%
    Nitrile 20.11%
    Cedarleaf 19.87%
    Parsley 19.47%
    Fenugreek 19.32%
    Seedy 19.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.29 (weak base)

    Molecular weight
    356.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1033°C

    Flash point

    • 267.73 ˚C est.

  • Synonyms

    • DTXSID501120610
    • 4-(3,4-Dihydroxyphenyl)-6-[(3,4-dihydroxyphenyl)methylene]-3-hydroxy-2H-pyran-2,5(6H)-dione
    • 4-(3,4-Dihydroxyphenyl)-6-[(3,4-dihydroxyphenyl)methylidene]-3-hydroxy-2H-pyran-2,5(6H)-dione
    • 41744-34-7
    • 41744-34-7

  • Applications

    4-(3,4-Dihydroxyphenyl)-6-[(3,4-dihydroxyphenyl)methylene]-3-hydroxy-2H-pyran-2,5(6H)-dione (CAS 41744-34-7) is a polyphenolic framework commonly explored as an organic synthesis intermediate and as an antioxidant/stabilizer in polymer formulations and coatings; it may serve as a building block in pharmaceutical research and development and as an antioxidant additive in cosmetics and personal care products, with potential roles in inks or dye applications as a precursor or linking component.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 29.22
    methanol 22.81
    isopropanol 20.23
    water 0.16
    ethyl acetate 10.46
    n-propanol 29.86
    acetone 13.27
    n-butanol 12.68
    acetonitrile 2.8
    DMF 85.15
    toluene 1.34
    isobutanol 7.76
    1,4-dioxane 25.12
    methyl acetate 13.31
    THF 116.93
    2-butanone 27.21
    n-pentanol 5.26
    sec-butanol 23.35
    n-hexane 0.05
    ethylene glycol 28.52
    NMP 46.26
    cyclohexane 0.08
    DMSO 171.61
    n-butyl acetate 2.24
    n-octanol 5.56
    chloroform 0.11
    n-propyl acetate 2.71
    acetic acid 14.39
    dichloromethane 0.15
    cyclohexanone 11.63
    propylene glycol 29.06
    isopropyl acetate 5.76
    DMAc 116.03
    2-ethoxyethanol 61.86
    isopentanol 6.14
    n-heptane 0.14
    ethyl formate 4.24
    1,2-dichloroethane 0.49
    n-hexanol 3.68
    2-methoxyethanol 162.2
    isobutyl acetate 0.48
    tetrachloromethane 0.05
    n-pentyl acetate 3.76
    transcutol 37.99
    n-heptanol 5.5
    ethylbenzene 0.51
    MIBK 4.22
    2-propoxyethanol 35.42
    tert-butanol 19.61
    MTBE 8.2
    2-butoxyethanol 18.11
    propionic acid 14.63
    o-xylene 1.05
    formic acid 22.23
    diethyl ether 10.16
    m-xylene 0.75
    p-xylene 0.33
    chlorobenzene 0.16
    dimethyl carbonate 9.65
    n-octane 0.14
    formamide 60.08
    cyclopentanone 30.66
    2-pentanone 12.77
    anisole 2.84
    cyclopentyl methyl ether 13.7
    gamma-butyrolactone 31.01
    1-methoxy-2-propanol 96.2
    pyridine 13.25
    3-pentanone 7.94
    furfural 10.53
    n-dodecane 0.13
    diethylene glycol 36.26
    diisopropyl ether 1.29
    tert-amyl alcohol 21.77
    acetylacetone 13.46
    n-hexadecane 0.15
    acetophenone 2.72
    methyl propionate 18.04
    isopentyl acetate 1.75
    trichloroethylene 0.79
    n-nonanol 5.95
    cyclohexanol 8.23
    benzyl alcohol 4.19
    2-ethylhexanol 1.61
    isooctanol 3.25
    dipropyl ether 4.49
    1,2-dichlorobenzene 0.16
    ethyl lactate 5.08
    propylene carbonate 3.68
    n-methylformamide 42.98
    2-pentanol 8.51
    n-pentane 0.11
    1-propoxy-2-propanol 20.36
    1-methoxy-2-propyl acetate 8.96
    2-(2-methoxypropoxy) propanol 13.93
    mesitylene 0.39
    ε-caprolactone 12.73
    p-cymene 0.47
    epichlorohydrin 22.32
    1,1,1-trichloroethane 0.15
    2-aminoethanol 46.66
    morpholine-4-carbaldehyde 42.11
    sulfolane 41.07
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 27.38
    n-hexyl acetate 4.8
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 22.57
    sec-butyl acetate 1.69
    tert-butyl acetate 6.85
    decalin 0.04
    glycerin 60.79
    diglyme 31.39
    acrylic acid 12.5
    isopropyl myristate 2.2
    n-butyric acid 9.75
    acetyl acetate 2.12
    di(2-ethylhexyl) phthalate 1.51
    ethyl propionate 3.87
    nitromethane 26.6
    1,2-diethoxyethane 9.53
    benzonitrile 0.87
    trioctyl phosphate 1.81
    1-bromopropane 0.46
    gamma-valerolactone 44.84
    n-decanol 4.18
    triethyl phosphate 1.56
    4-methyl-2-pentanol 2.89
    propionitrile 4.48
    vinylene carbonate 2.57
    1,1,2-trichlorotrifluoroethane 17.29
    DMS 3.59
    cumene 0.26
    2-octanol 4.13
    2-hexanone 3.55
    octyl acetate 3.54
    limonene 0.73
    1,2-dimethoxyethane 40.19
    ethyl orthosilicate 1.61
    tributyl phosphate 1.43
    diacetone alcohol 23.73
    N,N-dimethylaniline 2.26
    acrylonitrile 6.46
    aniline 5.76
    1,3-propanediol 50.09
    bromobenzene 0.09
    dibromomethane 0.09
    1,1,2,2-tetrachloroethane 1.0
    2-methyl-cyclohexyl acetate 1.32
    tetrabutyl urea 3.66
    diisobutyl methanol 1.42
    2-phenylethanol 3.38
    styrene 0.45
    dioctyl adipate 3.1
    dimethyl sulfate 14.23
    ethyl butyrate 2.44
    methyl lactate 22.55
    butyl lactate 5.3
    diethyl carbonate 1.35
    propanediol butyl ether 14.72
    triethyl orthoformate 2.67
    p-tert-butyltoluene 0.57
    methyl 4-tert-butylbenzoate 5.77
    morpholine 64.9
    tert-butylamine 4.95
    n-dodecanol 2.73
    dimethoxymethane 66.66
    ethylene carbonate 2.33
    cyrene 10.44
    2-ethoxyethyl acetate 7.38
    2-ethylhexyl acetate 1.03
    1,2,4-trichlorobenzene 0.36
    4-methylpyridine 5.84
    dibutyl ether 3.62
    2,6-dimethyl-4-heptanol 1.42
    DEF 22.03
    dimethyl isosorbide 13.88
    tetrachloroethylene 0.67
    eugenol 5.93
    triacetin 4.53
    span 80 9.04
    1,4-butanediol 10.97
    1,1-dichloroethane 0.24
    2-methyl-1-pentanol 3.28
    methyl formate 16.96
    2-methyl-1-butanol 7.89
    n-decane 0.27
    butyronitrile 2.55
    3,7-dimethyl-1-octanol 2.77
    1-chlorooctane 1.03
    1-chlorotetradecane 0.39
    n-nonane 0.21
    undecane 0.18
    tert-butylcyclohexane 0.04
    cyclooctane 0.07
    cyclopentanol 15.0
    tetrahydropyran 17.02
    tert-amyl methyl ether 10.0
    2,5,8-trioxanonane 24.28
    1-hexene 0.3
    2-isopropoxyethanol 20.61
    2,2,2-trifluoroethanol 4.58
    methyl butyrate 4.15

    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