(4E)-7-(4-Hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one

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  • Identifiers

    CAS number
    128700-98-1

    Molecular formula
    C22H26O6

    SMILES
    COC1=CC(=CC(=C1O)OC)CC/C=C/C(=O)CCC2=CC(=C(C=C2)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Spicy 59.67%
    Vanilla 49.27%
    Sweet 42.27%
    Balsamic 41.42%
    Warm 31.04%
    Woody 29.21%
    Floral 28.08%
    Powdery 28.04%
    Odorless 27.92%
    Creamy 27.11%

     

    Flavor
    Woody 32.05%
    Bitter 31.23%
    Spicy 29.87%
    Spice 27.01%
    Odorless 25.37%
    Sweet 24.77%
    Bland 23.08%
    Mild 22.88%
    Parsley 21.69%
    Faint 21.69%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    10.56 (weak base)

    Molecular weight
    386.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    649°C

    Flash point

    • 201.89 ˚C est.

  • Synonyms

    • Gingerenone B
    • 128700-98-1
    • (E)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
    • CHEBI:142262
    • DTXSID001130092
    • (4E)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
    • (4E)-7-(4-Hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one
    • RefChem:1050481
    • DTXCID601561580
    • SCHEMBL30190228
    • 1,7-(3,5-dimethoxy-4-hydroxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-4-one
    • 7-(4-Hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one
    • 128700-98-1

  • Applications

    The chemical name (4E)-7-(4-Hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one and CAS 128700-98-1 designate a diaryl enone that is commonly evaluated as a fragrance intermediate and aroma precursor in perfumery; it may be used in cosmetics and personal care as a fragrance component; it has potential applications in household products as a fragrance ingredient; its polyphenolic framework may be explored as a stabilizer or antioxidant in polymer and coating formulations; it can also serve as a synthetic intermediate in pharmaceutical research and development of related compounds, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.53
    methanol 12.97
    isopropanol 12.86
    water 0.01
    ethyl acetate 22.42
    n-propanol 18.03
    acetone 81.13
    n-butanol 10.3
    acetonitrile 15.77
    DMF 47.49
    toluene 9.61
    isobutanol 8.73
    1,4-dioxane 83.32
    methyl acetate 28.46
    THF 371.29
    2-butanone 51.1
    n-pentanol 11.67
    sec-butanol 14.62
    n-hexane 0.89
    ethylene glycol 5.09
    NMP 29.67
    cyclohexane 3.21
    DMSO 480.3
    n-butyl acetate 7.96
    n-octanol 7.68
    chloroform 54.79
    n-propyl acetate 13.2
    acetic acid 32.43
    dichloromethane 63.22
    cyclohexanone 62.26
    propylene glycol 7.26
    isopropyl acetate 11.75
    DMAc 67.67
    2-ethoxyethanol 38.47
    isopentanol 7.28
    n-heptane 1.2
    ethyl formate 16.29
    1,2-dichloroethane 46.74
    n-hexanol 7.88
    2-methoxyethanol 42.49
    isobutyl acetate 7.02
    tetrachloromethane 6.02
    n-pentyl acetate 12.1
    transcutol 45.2
    n-heptanol 7.75
    ethylbenzene 5.31
    MIBK 11.54
    2-propoxyethanol 27.1
    tert-butanol 16.72
    MTBE 12.63
    2-butoxyethanol 20.31
    propionic acid 17.59
    o-xylene 5.61
    formic acid 11.43
    diethyl ether 18.63
    m-xylene 3.77
    p-xylene 6.04
    chlorobenzene 10.95
    dimethyl carbonate 15.58
    n-octane 1.07
    formamide 27.64
    cyclopentanone 121.11
    2-pentanone 27.54
    anisole 13.13
    cyclopentyl methyl ether 25.84
    gamma-butyrolactone 83.83
    1-methoxy-2-propanol 24.78
    pyridine 51.75
    3-pentanone 24.5
    furfural 42.5
    n-dodecane 0.86
    diethylene glycol 21.07
    diisopropyl ether 3.29
    tert-amyl alcohol 13.71
    acetylacetone 46.07
    n-hexadecane 1.0
    acetophenone 16.57
    methyl propionate 22.49
    isopentyl acetate 8.36
    trichloroethylene 68.74
    n-nonanol 8.66
    cyclohexanol 14.41
    benzyl alcohol 14.07
    2-ethylhexanol 5.07
    isooctanol 6.57
    dipropyl ether 8.75
    1,2-dichlorobenzene 9.85
    ethyl lactate 9.27
    propylene carbonate 19.63
    n-methylformamide 22.92
    2-pentanol 6.08
    n-pentane 0.81
    1-propoxy-2-propanol 15.92
    1-methoxy-2-propyl acetate 15.39
    2-(2-methoxypropoxy) propanol 17.54
    mesitylene 2.25
    ε-caprolactone 36.3
    p-cymene 3.12
    epichlorohydrin 112.8
    1,1,1-trichloroethane 23.15
    2-aminoethanol 9.55
    morpholine-4-carbaldehyde 38.54
    sulfolane 122.66
    2,2,4-trimethylpentane 0.6
    2-methyltetrahydrofuran 60.74
    n-hexyl acetate 13.26
    isooctane 0.31
    2-(2-butoxyethoxy)ethanol 23.48
    sec-butyl acetate 7.31
    tert-butyl acetate 13.7
    decalin 1.14
    glycerin 12.31
    diglyme 50.88
    acrylic acid 17.36
    isopropyl myristate 6.19
    n-butyric acid 16.33
    acetyl acetate 16.97
    di(2-ethylhexyl) phthalate 6.92
    ethyl propionate 11.96
    nitromethane 79.73
    1,2-diethoxyethane 20.76
    benzonitrile 12.5
    trioctyl phosphate 5.63
    1-bromopropane 15.25
    gamma-valerolactone 88.23
    n-decanol 6.56
    triethyl phosphate 7.27
    4-methyl-2-pentanol 3.56
    propionitrile 15.34
    vinylene carbonate 19.42
    1,1,2-trichlorotrifluoroethane 50.46
    DMS 14.24
    cumene 3.24
    2-octanol 5.7
    2-hexanone 18.13
    octyl acetate 8.42
    limonene 4.3
    1,2-dimethoxyethane 57.36
    ethyl orthosilicate 6.89
    tributyl phosphate 6.13
    diacetone alcohol 20.28
    N,N-dimethylaniline 8.3
    acrylonitrile 21.09
    aniline 12.72
    1,3-propanediol 16.44
    bromobenzene 10.27
    dibromomethane 35.59
    1,1,2,2-tetrachloroethane 57.41
    2-methyl-cyclohexyl acetate 9.68
    tetrabutyl urea 10.02
    diisobutyl methanol 3.48
    2-phenylethanol 12.31
    styrene 6.15
    dioctyl adipate 11.23
    dimethyl sulfate 28.97
    ethyl butyrate 8.57
    methyl lactate 13.09
    butyl lactate 9.77
    diethyl carbonate 6.82
    propanediol butyl ether 14.18
    triethyl orthoformate 8.62
    p-tert-butyltoluene 2.81
    methyl 4-tert-butylbenzoate 15.48
    morpholine 79.56
    tert-butylamine 6.09
    n-dodecanol 4.99
    dimethoxymethane 49.74
    ethylene carbonate 16.87
    cyrene 22.18
    2-ethoxyethyl acetate 20.82
    2-ethylhexyl acetate 6.34
    1,2,4-trichlorobenzene 13.02
    4-methylpyridine 23.53
    dibutyl ether 9.49
    2,6-dimethyl-4-heptanol 3.48
    DEF 21.73
    dimethyl isosorbide 29.42
    tetrachloroethylene 35.5
    eugenol 15.18
    triacetin 17.02
    span 80 13.3
    1,4-butanediol 9.33
    1,1-dichloroethane 25.59
    2-methyl-1-pentanol 8.72
    methyl formate 23.5
    2-methyl-1-butanol 7.88
    n-decane 1.61
    butyronitrile 11.0
    3,7-dimethyl-1-octanol 5.91
    1-chlorooctane 5.41
    1-chlorotetradecane 2.44
    n-nonane 1.36
    undecane 1.13
    tert-butylcyclohexane 0.74
    cyclooctane 1.01
    cyclopentanol 23.13
    tetrahydropyran 69.42
    tert-amyl methyl ether 9.61
    2,5,8-trioxanonane 35.1
    1-hexene 3.56
    2-isopropoxyethanol 22.38
    2,2,2-trifluoroethanol 13.35
    methyl butyrate 15.29

    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