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

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  • Identifiers

    CAS number
    41744-32-5

    Molecular formula
    C18H12O6

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 51.72%
    Sweet 38.61%
    Odorless 37.95%
    Spicy 36.92%
    Burnt 32.34%
    Vanilla 31.45%
    Balsamic 29.16%
    Bitter 27.75%
    Caramellic 27.25%
    Nutty 24.41%

     

    Flavor
    Bitter 86.05%
    Odorless 24.88%
    Lovage 21.36%
    Nitrile 20.63%
    Sweet-like 19.86%
    Cedarleaf 19.5%
    Very strong 19.46%
    Fenugreek 19.42%
    Parsley 19.24%
    Basil 19.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.31 (weak base)

    Molecular weight
    324.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    776°C

    Flash point

    • 247.41 ˚C est.

  • Synonyms

    • DTXSID901130732
    • 3-Hydroxy-4-(4-hydroxyphenyl)-6-[(4-hydroxyphenyl)methylene]-2H-pyran-2,5(6H)-dione
    • 3-Hydroxy-4-(4-hydroxyphenyl)-6-[(4-hydroxyphenyl)methylidene]-2H-pyran-2,5(6H)-dione
    • 41744-32-5
    • 41744-32-5

  • Applications

    CAS 41744-32-5, 3-Hydroxy-4-(4-hydroxyphenyl)-6-[(4-hydroxyphenyl)methylene]-2H-pyran-2,5(6H)-dione is typically used as an organic synthesis intermediate with potential applications in the production of dyes and pigments, as a precursor for pharmaceutical synthesis, and as an additive for polymers; it may function as an antioxidant and stabilizer in polymers, coatings, and inks, and may be explored for cosmetic formulations as an antioxidant or colorant precursor.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.1
    methanol 23.77
    isopropanol 14.26
    water 0.02
    ethyl acetate 13.37
    n-propanol 21.53
    acetone 82.61
    n-butanol 12.19
    acetonitrile 11.6
    DMF 108.26
    toluene 5.6
    isobutanol 7.66
    1,4-dioxane 35.63
    methyl acetate 25.77
    THF 283.22
    2-butanone 75.82
    n-pentanol 6.78
    sec-butanol 14.6
    n-hexane 0.03
    ethylene glycol 10.37
    NMP 39.75
    cyclohexane 0.07
    DMSO 233.72
    n-butyl acetate 5.57
    n-octanol 3.91
    chloroform 0.84
    n-propyl acetate 6.37
    acetic acid 16.17
    dichloromethane 1.05
    cyclohexanone 36.35
    propylene glycol 11.19
    isopropyl acetate 8.82
    DMAc 173.59
    2-ethoxyethanol 37.25
    isopentanol 8.41
    n-heptane 0.07
    ethyl formate 7.17
    1,2-dichloroethane 3.52
    n-hexanol 5.4
    2-methoxyethanol 114.32
    isobutyl acetate 2.3
    tetrachloromethane 0.15
    n-pentyl acetate 5.18
    transcutol 38.92
    n-heptanol 4.55
    ethylbenzene 1.9
    MIBK 12.06
    2-propoxyethanol 31.9
    tert-butanol 18.49
    MTBE 9.93
    2-butoxyethanol 15.82
    propionic acid 10.73
    o-xylene 3.0
    formic acid 10.83
    diethyl ether 9.21
    m-xylene 2.27
    p-xylene 1.78
    chlorobenzene 1.49
    dimethyl carbonate 14.12
    n-octane 0.08
    formamide 38.7
    cyclopentanone 85.21
    2-pentanone 31.59
    anisole 8.2
    cyclopentyl methyl ether 17.98
    gamma-butyrolactone 53.56
    1-methoxy-2-propanol 53.49
    pyridine 32.45
    3-pentanone 17.49
    furfural 20.83
    n-dodecane 0.15
    diethylene glycol 27.88
    diisopropyl ether 1.43
    tert-amyl alcohol 16.41
    acetylacetone 37.04
    n-hexadecane 0.18
    acetophenone 9.51
    methyl propionate 22.02
    isopentyl acetate 5.63
    trichloroethylene 7.02
    n-nonanol 4.52
    cyclohexanol 8.38
    benzyl alcohol 8.92
    2-ethylhexanol 2.99
    isooctanol 3.44
    dipropyl ether 4.67
    1,2-dichlorobenzene 1.21
    ethyl lactate 6.36
    propylene carbonate 8.19
    n-methylformamide 40.39
    2-pentanol 6.17
    n-pentane 0.04
    1-propoxy-2-propanol 18.14
    1-methoxy-2-propyl acetate 14.6
    2-(2-methoxypropoxy) propanol 16.63
    mesitylene 1.1
    ε-caprolactone 20.48
    p-cymene 1.37
    epichlorohydrin 67.39
    1,1,1-trichloroethane 1.4
    2-aminoethanol 18.39
    morpholine-4-carbaldehyde 35.33
    sulfolane 60.95
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 43.87
    n-hexyl acetate 6.3
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 23.1
    sec-butyl acetate 4.36
    tert-butyl acetate 12.93
    decalin 0.09
    glycerin 24.35
    diglyme 38.11
    acrylic acid 9.52
    isopropyl myristate 3.77
    n-butyric acid 10.05
    acetyl acetate 5.53
    di(2-ethylhexyl) phthalate 3.33
    ethyl propionate 6.92
    nitromethane 52.77
    1,2-diethoxyethane 12.93
    benzonitrile 4.98
    trioctyl phosphate 2.84
    1-bromopropane 1.43
    gamma-valerolactone 68.36
    n-decanol 3.64
    triethyl phosphate 3.55
    4-methyl-2-pentanol 3.44
    propionitrile 12.78
    vinylene carbonate 6.31
    1,1,2-trichlorotrifluoroethane 23.36
    DMS 7.11
    cumene 1.08
    2-octanol 2.91
    2-hexanone 12.94
    octyl acetate 4.98
    limonene 1.71
    1,2-dimethoxyethane 49.49
    ethyl orthosilicate 3.38
    tributyl phosphate 3.02
    diacetone alcohol 31.2
    N,N-dimethylaniline 5.22
    acrylonitrile 18.32
    aniline 11.66
    1,3-propanediol 29.56
    bromobenzene 0.96
    dibromomethane 0.52
    1,1,2,2-tetrachloroethane 6.12
    2-methyl-cyclohexyl acetate 4.42
    tetrabutyl urea 6.37
    diisobutyl methanol 2.46
    2-phenylethanol 8.7
    styrene 2.14
    dioctyl adipate 5.76
    dimethyl sulfate 21.79
    ethyl butyrate 4.86
    methyl lactate 18.88
    butyl lactate 6.16
    diethyl carbonate 3.17
    propanediol butyl ether 10.72
    triethyl orthoformate 4.67
    p-tert-butyltoluene 1.41
    methyl 4-tert-butylbenzoate 10.13
    morpholine 61.67
    tert-butylamine 4.58
    n-dodecanol 2.79
    dimethoxymethane 80.16
    ethylene carbonate 5.34
    cyrene 13.77
    2-ethoxyethyl acetate 10.15
    2-ethylhexyl acetate 3.51
    1,2,4-trichlorobenzene 2.39
    4-methylpyridine 19.32
    dibutyl ether 4.54
    2,6-dimethyl-4-heptanol 2.46
    DEF 26.85
    dimethyl isosorbide 24.35
    tetrachloroethylene 3.19
    eugenol 9.94
    triacetin 7.31
    span 80 9.49
    1,4-butanediol 6.59
    1,1-dichloroethane 1.71
    2-methyl-1-pentanol 5.74
    methyl formate 24.99
    2-methyl-1-butanol 8.53
    n-decane 0.2
    butyronitrile 7.87
    3,7-dimethyl-1-octanol 3.82
    1-chlorooctane 1.32
    1-chlorotetradecane 0.7
    n-nonane 0.13
    undecane 0.18
    tert-butylcyclohexane 0.08
    cyclooctane 0.04
    cyclopentanol 13.99
    tetrahydropyran 27.77
    tert-amyl methyl ether 10.06
    2,5,8-trioxanonane 32.75
    1-hexene 0.39
    2-isopropoxyethanol 15.49
    2,2,2-trifluoroethanol 4.25
    methyl butyrate 8.61

    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