5-((1E)-2-(4-Hydroxyphenyl)ethenyl)-2-(3-methyl-2-buten-1-yl)-1,3-benzenediol

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  • Identifiers

    CAS number
    61517-87-1

    Molecular formula
    C19H20O3

    SMILES
    CC(=CCC1=C(C=C(C=C1O)/C=C/C2=CC=C(C=C2)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 54.26%
    Phenolic 53.5%
    Fruity 38.06%
    Woody 36.7%
    Balsamic 30.44%
    Smoky 28.59%
    Medicinal 27.84%
    Sweet 27.29%
    Dry 24.64%
    Animal 24.11%

     

    Flavor
    Bitter 74.37%
    Nitrile 20.51%
    Oriental 19.84%
    Cedarleaf 19.75%
    Lovage 19.6%
    Thymol 19.5%
    Parsley 19.44%
    Styrene 19.39%
    Flat 19.35%
    Very strong 19.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    11.62 (strong base)

    Molecular weight
    296.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    529°C

    Flash point

    • 220.38 ˚C est.

  • Synonyms

    • 4-Prenylresveratrol
    • 61517-87-1
    • 5-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
    • DTXSID50415185
    • 5-((E)-2-(4-hydroxyphenyl)ethenyl)-2-(3-methylbut-2-enyl)benzene-1,3-diol
    • RefChem:1072292
    • DTXCID40366036
    • 5-((1E)-2-(4-Hydroxyphenyl)ethenyl)-2-(3-methyl-2-buten-1-yl)-1,3-benzenediol
    • Arachidin 2
    • ARACHIDIN-2
    • CHEBI:1927
    • orb1941794
    • SCHEMBL4742876
    • CHEMBL2230263
    • BDBM50507782
    • HY-N12144
    • LMPK13090014
    • DA-61183
    • (e)-3,5,4'-trihydroxy-4-prenylstilbene
    • CS-0892192
    • Q27105529
    • 5-[(E)-2-(4-Hydroxyphenyl)ethen-1-yl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol
    • 61517-87-1

  • Applications

    5-((1E)-2-(4-Hydroxyphenyl)ethenyl)-2-(3-methyl-2-buten-1-yl)-1,3-benzenediol (CAS 61517-87-1) is a polyphenolic, stilbene-like compound that is typically used as a specialized building block in chemical synthesis; in fragrance and perfumery it may function as an odorant or fragrance intermediate; in cosmetics and personal care it can be explored as a fragrance component and potential antioxidant; in coatings, inks and adhesives it may serve as an antioxidant additive or polymerizable monomer for UV-curable systems; in polymers and plastics it can be employed as a co-monomer for specialty polyphenolic resins; and as a dye or pigment precursor it can participate in the synthesis of chromophore-containing dyes. These roles depend on regulatory approval and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 151.96
    methanol 160.23
    isopropanol 75.9
    water 0.03
    ethyl acetate 110.83
    n-propanol 110.14
    acetone 132.72
    n-butanol 71.93
    acetonitrile 56.56
    DMF 59.84
    toluene 11.01
    isobutanol 38.98
    1,4-dioxane 199.99
    methyl acetate 98.78
    THF 636.35
    2-butanone 162.55
    n-pentanol 42.47
    sec-butanol 64.48
    n-hexane 0.34
    ethylene glycol 11.03
    NMP 18.12
    cyclohexane 0.49
    DMSO 269.95
    n-butyl acetate 32.01
    n-octanol 16.84
    chloroform 25.69
    n-propyl acetate 33.97
    acetic acid 67.05
    dichloromethane 15.52
    cyclohexanone 63.13
    propylene glycol 78.79
    isopropyl acetate 55.43
    DMAc 121.0
    2-ethoxyethanol 132.37
    isopentanol 44.72
    n-heptane 0.71
    ethyl formate 30.68
    1,2-dichloroethane 21.3
    n-hexanol 31.95
    2-methoxyethanol 301.78
    isobutyl acetate 23.12
    tetrachloromethane 1.99
    n-pentyl acetate 23.79
    transcutol 480.78
    n-heptanol 19.71
    ethylbenzene 5.85
    MIBK 47.58
    2-propoxyethanol 135.3
    tert-butanol 86.49
    MTBE 64.34
    2-butoxyethanol 64.89
    propionic acid 43.64
    o-xylene 5.61
    formic acid 18.58
    diethyl ether 63.25
    m-xylene 7.11
    p-xylene 6.24
    chlorobenzene 9.19
    dimethyl carbonate 30.64
    n-octane 0.47
    formamide 72.43
    cyclopentanone 118.51
    2-pentanone 86.35
    anisole 40.79
    cyclopentyl methyl ether 50.58
    gamma-butyrolactone 89.34
    1-methoxy-2-propanol 240.4
    pyridine 75.08
    3-pentanone 49.14
    furfural 57.74
    n-dodecane 0.66
    diethylene glycol 83.23
    diisopropyl ether 10.19
    tert-amyl alcohol 66.04
    acetylacetone 120.16
    n-hexadecane 0.75
    acetophenone 27.07
    methyl propionate 74.55
    isopentyl acetate 36.22
    trichloroethylene 49.49
    n-nonanol 18.38
    cyclohexanol 22.52
    benzyl alcohol 28.66
    2-ethylhexanol 16.16
    isooctanol 16.7
    dipropyl ether 28.07
    1,2-dichlorobenzene 8.16
    ethyl lactate 25.05
    propylene carbonate 34.58
    n-methylformamide 47.3
    2-pentanol 37.41
    n-pentane 0.3
    1-propoxy-2-propanol 90.05
    1-methoxy-2-propyl acetate 77.54
    2-(2-methoxypropoxy) propanol 80.84
    mesitylene 4.04
    ε-caprolactone 50.08
    p-cymene 5.26
    epichlorohydrin 177.02
    1,1,1-trichloroethane 16.2
    2-aminoethanol 53.66
    morpholine-4-carbaldehyde 68.42
    sulfolane 86.82
    2,2,4-trimethylpentane 0.67
    2-methyltetrahydrofuran 111.47
    n-hexyl acetate 35.95
    isooctane 0.62
    2-(2-butoxyethoxy)ethanol 131.27
    sec-butyl acetate 26.83
    tert-butyl acetate 71.94
    decalin 0.65
    glycerin 73.8
    diglyme 215.76
    acrylic acid 30.46
    isopropyl myristate 18.7
    n-butyric acid 66.14
    acetyl acetate 45.21
    di(2-ethylhexyl) phthalate 17.82
    ethyl propionate 36.18
    nitromethane 147.55
    1,2-diethoxyethane 107.76
    benzonitrile 17.15
    trioctyl phosphate 12.38
    1-bromopropane 8.62
    gamma-valerolactone 142.53
    n-decanol 13.69
    triethyl phosphate 15.31
    4-methyl-2-pentanol 23.09
    propionitrile 43.19
    vinylene carbonate 26.48
    1,1,2-trichlorotrifluoroethane 87.98
    DMS 29.0
    cumene 4.49
    2-octanol 12.19
    2-hexanone 43.38
    octyl acetate 22.98
    limonene 6.54
    1,2-dimethoxyethane 189.3
    ethyl orthosilicate 16.31
    tributyl phosphate 13.67
    diacetone alcohol 108.88
    N,N-dimethylaniline 18.42
    acrylonitrile 45.02
    aniline 23.66
    1,3-propanediol 96.58
    bromobenzene 7.3
    dibromomethane 8.22
    1,1,2,2-tetrachloroethane 45.48
    2-methyl-cyclohexyl acetate 25.79
    tetrabutyl urea 18.3
    diisobutyl methanol 13.1
    2-phenylethanol 31.6
    styrene 6.79
    dioctyl adipate 29.41
    dimethyl sulfate 37.87
    ethyl butyrate 29.29
    methyl lactate 48.96
    butyl lactate 27.82
    diethyl carbonate 19.56
    propanediol butyl ether 67.98
    triethyl orthoformate 25.43
    p-tert-butyltoluene 5.9
    methyl 4-tert-butylbenzoate 42.11
    morpholine 274.35
    tert-butylamine 27.18
    n-dodecanol 10.01
    dimethoxymethane 182.88
    ethylene carbonate 22.55
    cyrene 47.71
    2-ethoxyethyl acetate 59.28
    2-ethylhexyl acetate 23.83
    1,2,4-trichlorobenzene 12.69
    4-methylpyridine 33.95
    dibutyl ether 26.08
    2,6-dimethyl-4-heptanol 13.1
    DEF 40.28
    dimethyl isosorbide 123.81
    tetrachloroethylene 17.91
    eugenol 42.22
    triacetin 46.57
    span 80 57.07
    1,4-butanediol 20.15
    1,1-dichloroethane 15.84
    2-methyl-1-pentanol 33.63
    methyl formate 34.52
    2-methyl-1-butanol 38.56
    n-decane 1.09
    butyronitrile 37.61
    3,7-dimethyl-1-octanol 19.28
    1-chlorooctane 6.36
    1-chlorotetradecane 2.75
    n-nonane 0.81
    undecane 0.82
    tert-butylcyclohexane 0.86
    cyclooctane 0.25
    cyclopentanol 30.14
    tetrahydropyran 135.05
    tert-amyl methyl ether 41.87
    2,5,8-trioxanonane 154.29
    1-hexene 2.89
    2-isopropoxyethanol 73.94
    2,2,2-trifluoroethanol 11.3
    methyl butyrate 37.1

    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