5-((1E)-2-(4-Hydroxyphenyl)ethenyl)-1,2,3-benzenetriol

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  • Identifiers

    CAS number
    331443-00-6

    Molecular formula
    C14H12O4

    SMILES
    C1=CC(=CC=C1/C=C/C2=CC(=C(C(=C2)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 68.19%
    Odorless 50.51%
    Spicy 44.35%
    Burnt 39.13%
    Smoky 36.44%
    Medicinal 33.41%
    Balsamic 24.54%
    Savory 21.28%
    Woody 20.97%
    Meaty 20.16%

     

    Flavor
    Bitter 86.34%
    Phenolic 23.18%
    Mild 23.16%
    Nitrile 21.29%
    Curry 21.04%
    Very strong 20.86%
    Almond shell 20.83%
    Flat 20.54%
    Indole 20.33%
    Odorless 20.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    11.96 (strong base)

    Molecular weight
    244.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    540°C

    Flash point

    • 230.79 ˚C est.

  • Synonyms

    • 331443-00-6
    • 5-((1E)-2-(4-Hydroxyphenyl)ethenyl)-1,2,3-benzenetriol
    • 5-[(1E)-2-(4-Hydroxyphenyl)ethenyl]-1,2,3-benzenetriol
    • RefChem:299038
    • 4-HydroxyResveratrol
    • 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,2,3-triol
    • (E)-5-(4-hydroxystyryl)benzene-1,2,3-triol
    • SCHEMBL718526
    • orb2944423
    • CHEMBL2260734
    • AKOS015915072
    • 3,4,4',5-tetrahydroxy-trans-stilbene
    • AC-24223
    • FH178782
    • DB-344826
    • 331443-00-6

  • Applications

    5-((1E)-2-(4-Hydroxyphenyl)ethenyl)-1,2,3-benzenetriol (CAS 331443-00-6) may serve as an intermediate and additive in material formulations, with real-world applications primarily in: dye and pigment precursors for inks and coatings; UV-absorber and antioxidant additive for polymers, paints, and adhesives; a fluorophore under study for sensors with potential in organic electronics; and a building block for phenolic resins and specialty polymers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 87.84
    methanol 104.87
    isopropanol 58.01
    water 0.13
    ethyl acetate 56.56
    n-propanol 75.95
    acetone 42.58
    n-butanol 47.24
    acetonitrile 18.11
    DMF 30.09
    toluene 1.38
    isobutanol 20.53
    1,4-dioxane 59.92
    methyl acetate 39.57
    THF 321.04
    2-butanone 67.19
    n-pentanol 21.57
    sec-butanol 68.72
    n-hexane 0.1
    ethylene glycol 51.23
    NMP 6.58
    cyclohexane 0.1
    DMSO 196.97
    n-butyl acetate 9.29
    n-octanol 8.57
    chloroform 0.07
    n-propyl acetate 10.38
    acetic acid 47.83
    dichloromethane 0.03
    cyclohexanone 12.13
    propylene glycol 93.34
    isopropyl acetate 39.63
    DMAc 75.03
    2-ethoxyethanol 132.47
    isopentanol 32.02
    n-heptane 0.48
    ethyl formate 11.03
    1,2-dichloroethane 0.29
    n-hexanol 18.53
    2-methoxyethanol 313.38
    isobutyl acetate 4.35
    tetrachloromethane 0.13
    n-pentyl acetate 8.72
    transcutol 220.52
    n-heptanol 12.2
    ethylbenzene 1.15
    MIBK 28.59
    2-propoxyethanol 80.7
    tert-butanol 104.84
    MTBE 64.02
    2-butoxyethanol 40.79
    propionic acid 31.4
    o-xylene 1.89
    formic acid 38.25
    diethyl ether 40.74
    m-xylene 2.05
    p-xylene 0.76
    chlorobenzene 0.27
    dimethyl carbonate 19.89
    n-octane 0.29
    formamide 155.52
    cyclopentanone 28.29
    2-pentanone 42.09
    anisole 11.88
    cyclopentyl methyl ether 26.91
    gamma-butyrolactone 34.9
    1-methoxy-2-propanol 202.31
    pyridine 11.3
    3-pentanone 19.26
    furfural 15.85
    n-dodecane 0.39
    diethylene glycol 97.17
    diisopropyl ether 10.76
    tert-amyl alcohol 91.49
    acetylacetone 62.46
    n-hexadecane 0.43
    acetophenone 7.57
    methyl propionate 39.63
    isopentyl acetate 11.41
    trichloroethylene 0.69
    n-nonanol 9.77
    cyclohexanol 13.58
    benzyl alcohol 9.79
    2-ethylhexanol 8.71
    isooctanol 10.45
    dipropyl ether 16.29
    1,2-dichlorobenzene 0.43
    ethyl lactate 16.14
    propylene carbonate 9.62
    n-methylformamide 35.76
    2-pentanol 38.3
    n-pentane 0.16
    1-propoxy-2-propanol 55.34
    1-methoxy-2-propyl acetate 35.82
    2-(2-methoxypropoxy) propanol 50.58
    mesitylene 1.7
    ε-caprolactone 15.17
    p-cymene 2.05
    epichlorohydrin 43.54
    1,1,1-trichloroethane 0.44
    2-aminoethanol 111.42
    morpholine-4-carbaldehyde 30.27
    sulfolane 33.19
    2,2,4-trimethylpentane 0.57
    2-methyltetrahydrofuran 60.49
    n-hexyl acetate 12.08
    isooctane 0.5
    2-(2-butoxyethoxy)ethanol 71.39
    sec-butyl acetate 11.8
    tert-butyl acetate 64.13
    decalin 0.19
    glycerin 142.91
    diglyme 112.48
    acrylic acid 23.44
    isopropyl myristate 9.28
    n-butyric acid 34.24
    acetyl acetate 19.53
    di(2-ethylhexyl) phthalate 6.38
    ethyl propionate 15.74
    nitromethane 96.75
    1,2-diethoxyethane 45.34
    benzonitrile 2.62
    trioctyl phosphate 5.81
    1-bromopropane 0.3
    gamma-valerolactone 45.45
    n-decanol 8.09
    triethyl phosphate 7.39
    4-methyl-2-pentanol 21.33
    propionitrile 15.3
    vinylene carbonate 5.4
    1,1,2-trichlorotrifluoroethane 35.4
    DMS 10.72
    cumene 1.13
    2-octanol 7.43
    2-hexanone 12.79
    octyl acetate 9.81
    limonene 2.82
    1,2-dimethoxyethane 103.53
    ethyl orthosilicate 8.22
    tributyl phosphate 5.97
    diacetone alcohol 102.89
    N,N-dimethylaniline 7.0
    acrylonitrile 16.79
    aniline 7.38
    1,3-propanediol 141.82
    bromobenzene 0.15
    dibromomethane 0.03
    1,1,2,2-tetrachloroethane 1.28
    2-methyl-cyclohexyl acetate 8.11
    tetrabutyl urea 8.26
    diisobutyl methanol 11.78
    2-phenylethanol 11.81
    styrene 0.93
    dioctyl adipate 11.96
    dimethyl sulfate 23.35
    ethyl butyrate 11.23
    methyl lactate 46.77
    butyl lactate 12.77
    diethyl carbonate 7.34
    propanediol butyl ether 32.95
    triethyl orthoformate 11.9
    p-tert-butyltoluene 2.98
    methyl 4-tert-butylbenzoate 20.32
    morpholine 105.92
    tert-butylamine 31.84
    n-dodecanol 6.53
    dimethoxymethane 110.15
    ethylene carbonate 5.12
    cyrene 25.2
    2-ethoxyethyl acetate 23.52
    2-ethylhexyl acetate 6.16
    1,2,4-trichlorobenzene 0.93
    4-methylpyridine 4.56
    dibutyl ether 10.8
    2,6-dimethyl-4-heptanol 11.78
    DEF 24.18
    dimethyl isosorbide 59.53
    tetrachloroethylene 1.04
    eugenol 21.47
    triacetin 17.98
    span 80 27.69
    1,4-butanediol 27.32
    1,1-dichloroethane 0.18
    2-methyl-1-pentanol 19.53
    methyl formate 19.75
    2-methyl-1-butanol 29.85
    n-decane 0.56
    butyronitrile 11.68
    3,7-dimethyl-1-octanol 11.79
    1-chlorooctane 1.99
    1-chlorotetradecane 1.2
    n-nonane 0.41
    undecane 0.45
    tert-butylcyclohexane 0.32
    cyclooctane 0.12
    cyclopentanol 17.67
    tetrahydropyran 33.94
    tert-amyl methyl ether 51.52
    2,5,8-trioxanonane 89.79
    1-hexene 0.54
    2-isopropoxyethanol 63.8
    2,2,2-trifluoroethanol 10.84
    methyl butyrate 12.59

    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