Gingerenone C

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  • Identifiers

    CAS number
    128701-01-9

    Molecular formula
    C20H22O4

    SMILES
    COC1=C(C=CC(=C1)CCC(=O)/C=C/CCC2=CC=C(C=C2)O)O

    Safety labels

  • Odor profile

    Fragrance
    Spicy 58.14%
    Sweet 50.49%
    Vanilla 43.86%
    Balsamic 43.1%
    Floral 30.68%
    Warm 30.13%
    Savory 27.81%
    Fruity 27.34%
    Woody 25.86%
    Creamy 25.66%

     

    Flavor
    Sweet 39.84%
    Spicy 38.99%
    Woody 34.97%
    Bitter 33.61%
    Floral 32.6%
    Herbal 31.92%
    Balsam 28.83%
    Mild 27.18%
    Clove 25.09%
    Spice 24.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    11.04 (strong base)

    Molecular weight
    326.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    515°C

    Flash point

    • 210.4 ˚C est.

  • Synonyms

    • Gingerenone C
    • 128701-01-9
    • (4E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one
    • DTXSID001317537
    • RefChem:1085786
    • DTXCID601747346
    • 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-(4E)-4-hepten-3-one
    • CHEMBL1270357
    • SCHEMBL30190106
    • CHEBI:70703
    • Q27139034
    • 1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-4-hepten-3-one
    • 128701-01-9

  • Applications

    Gingerenone C (CAS 128701-01-9) is a ginger-derived diarylheptanoid with several practical applications across industry: it can serve as an odorant/fragrance ingredient in perfumery and consumer cosmetics; as a cosmetic active or antioxidant additive; as an intermediate or research reagent in natural product chemistry and pharmaceutical development; as a stabilizer or antioxidant additive in polymers and coatings to improve oxidative stability; and as a reference standard for analytical work in natural product isolation and structure elucidation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 70.4
    methanol 85.79
    isopropanol 63.0
    water 0.02
    ethyl acetate 54.73
    n-propanol 70.72
    acetone 146.01
    n-butanol 36.1
    acetonitrile 34.11
    DMF 49.56
    toluene 10.68
    isobutanol 23.9
    1,4-dioxane 198.4
    methyl acetate 57.86
    THF 1057.44
    2-butanone 102.04
    n-pentanol 29.6
    sec-butanol 47.71
    n-hexane 0.47
    ethylene glycol 15.67
    NMP 12.64
    cyclohexane 1.07
    DMSO 997.53
    n-butyl acetate 12.37
    n-octanol 10.5
    chloroform 70.07
    n-propyl acetate 19.1
    acetic acid 68.26
    dichloromethane 73.47
    cyclohexanone 63.56
    propylene glycol 51.2
    isopropyl acetate 26.64
    DMAc 110.41
    2-ethoxyethanol 113.32
    isopentanol 20.54
    n-heptane 0.94
    ethyl formate 22.98
    1,2-dichloroethane 61.77
    n-hexanol 17.46
    2-methoxyethanol 169.04
    isobutyl acetate 11.88
    tetrachloromethane 3.77
    n-pentyl acetate 13.62
    transcutol 216.45
    n-heptanol 11.14
    ethylbenzene 6.31
    MIBK 27.17
    2-propoxyethanol 66.11
    tert-butanol 77.2
    MTBE 38.32
    2-butoxyethanol 36.78
    propionic acid 37.28
    o-xylene 5.67
    formic acid 22.8
    diethyl ether 36.58
    m-xylene 4.96
    p-xylene 6.47
    chlorobenzene 11.15
    dimethyl carbonate 25.4
    n-octane 0.78
    formamide 63.28
    cyclopentanone 120.38
    2-pentanone 54.01
    anisole 29.19
    cyclopentyl methyl ether 43.63
    gamma-butyrolactone 98.46
    1-methoxy-2-propanol 125.51
    pyridine 60.44
    3-pentanone 34.14
    furfural 51.83
    n-dodecane 0.97
    diethylene glycol 59.98
    diisopropyl ether 6.22
    tert-amyl alcohol 46.46
    acetylacetone 90.09
    n-hexadecane 1.09
    acetophenone 23.74
    methyl propionate 39.83
    isopentyl acetate 15.15
    trichloroethylene 84.19
    n-nonanol 12.05
    cyclohexanol 25.18
    benzyl alcohol 26.72
    2-ethylhexanol 9.4
    isooctanol 10.54
    dipropyl ether 16.11
    1,2-dichlorobenzene 10.75
    ethyl lactate 18.17
    propylene carbonate 24.04
    n-methylformamide 36.79
    2-pentanol 21.21
    n-pentane 0.31
    1-propoxy-2-propanol 44.31
    1-methoxy-2-propyl acetate 34.73
    2-(2-methoxypropoxy) propanol 45.34
    mesitylene 3.27
    ε-caprolactone 38.65
    p-cymene 4.12
    epichlorohydrin 206.29
    1,1,1-trichloroethane 25.62
    2-aminoethanol 40.61
    morpholine-4-carbaldehyde 53.96
    sulfolane 111.71
    2,2,4-trimethylpentane 0.75
    2-methyltetrahydrofuran 103.79
    n-hexyl acetate 18.25
    isooctane 0.5
    2-(2-butoxyethoxy)ethanol 63.64
    sec-butyl acetate 13.5
    tert-butyl acetate 35.93
    decalin 1.07
    glycerin 57.14
    diglyme 126.17
    acrylic acid 29.12
    isopropyl myristate 10.96
    n-butyric acid 38.82
    acetyl acetate 31.25
    di(2-ethylhexyl) phthalate 11.25
    ethyl propionate 18.86
    nitromethane 143.7
    1,2-diethoxyethane 55.72
    benzonitrile 17.69
    trioctyl phosphate 8.15
    1-bromopropane 18.04
    gamma-valerolactone 108.34
    n-decanol 9.81
    triethyl phosphate 11.77
    4-methyl-2-pentanol 11.41
    propionitrile 28.95
    vinylene carbonate 21.91
    1,1,2-trichlorotrifluoroethane 75.52
    DMS 21.9
    cumene 4.31
    2-octanol 7.41
    2-hexanone 28.34
    octyl acetate 13.01
    limonene 5.68
    1,2-dimethoxyethane 151.5
    ethyl orthosilicate 12.24
    tributyl phosphate 9.97
    diacetone alcohol 59.62
    N,N-dimethylaniline 15.09
    acrylonitrile 36.18
    aniline 20.42
    1,3-propanediol 67.4
    bromobenzene 9.77
    dibromomethane 34.0
    1,1,2,2-tetrachloroethane 77.11
    2-methyl-cyclohexyl acetate 15.84
    tetrabutyl urea 15.82
    diisobutyl methanol 8.47
    2-phenylethanol 21.33
    styrene 7.66
    dioctyl adipate 20.06
    dimethyl sulfate 41.3
    ethyl butyrate 13.64
    methyl lactate 31.98
    butyl lactate 16.76
    diethyl carbonate 11.31
    propanediol butyl ether 32.05
    triethyl orthoformate 15.66
    p-tert-butyltoluene 4.32
    methyl 4-tert-butylbenzoate 27.23
    morpholine 192.32
    tert-butylamine 20.02
    n-dodecanol 7.88
    dimethoxymethane 139.45
    ethylene carbonate 19.78
    cyrene 36.54
    2-ethoxyethyl acetate 31.42
    2-ethylhexyl acetate 9.51
    1,2,4-trichlorobenzene 14.53
    4-methylpyridine 25.7
    dibutyl ether 16.1
    2,6-dimethyl-4-heptanol 8.47
    DEF 26.33
    dimethyl isosorbide 69.23
    tetrachloroethylene 35.71
    eugenol 29.69
    triacetin 30.62
    span 80 28.34
    1,4-butanediol 25.47
    1,1-dichloroethane 36.14
    2-methyl-1-pentanol 19.61
    methyl formate 33.5
    2-methyl-1-butanol 20.24
    n-decane 1.56
    butyronitrile 23.69
    3,7-dimethyl-1-octanol 11.63
    1-chlorooctane 6.15
    1-chlorotetradecane 3.1
    n-nonane 1.2
    undecane 1.18
    tert-butylcyclohexane 0.93
    cyclooctane 0.45
    cyclopentanol 39.28
    tetrahydropyran 149.12
    tert-amyl methyl ether 24.13
    2,5,8-trioxanonane 97.66
    1-hexene 3.76
    2-isopropoxyethanol 58.67
    2,2,2-trifluoroethanol 17.21
    methyl butyrate 21.89

    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