Gancaonin D

Overview IFRA Request a quote

  • Identifiers

    CAS number
    124596-88-9

    Molecular formula
    C21H20O7

    SMILES
    C/C(=C\CC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=CC(=C(C=C3)OC)O)/CO

    Safety labels

  • Odor profile

    Fragrance
    Odorless 42.82%
    Phenolic 40.83%
    Spicy 37.45%
    Vanilla 37.23%
    Sweet 32.01%
    Balsamic 28.3%
    Burnt 27.86%
    Smoky 27.4%
    Fruity 26.08%
    Creamy 22.95%

     

    Flavor
    Bitter 87.99%
    Odorless 27.78%
    Bland 23.55%
    Sweet-like 20.8%
    Parsley 20.25%
    Cedarleaf 19.65%
    Lovage 19.48%
    Eugenol 19.2%
    Ethyl benzoate 19.11%
    Broom 19.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    10.05 (weak base)

    Molecular weight
    384.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1498°C

    Melting point expt.

    • 234 - 236 °C

    Flash point

    • 260.25 ˚C est.

  • Synonyms

    • Gancaonin D
    • 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-[(E)-4-hydroxy-3-methylbut-2-enyl]chromen-4-one
    • 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-((E)-4-hydroxy-3-methylbut-2-enyl)chromen-4-one
    • RefChem:1085711
    • CHEBI:168847
    • DTXSID901110235
    • LMPK12050263
    • 124596-88-9
    • 3',5,7-Trihydroxy-4'-methoxy-8-(4-hydroxyprenyl)isoflavone
    • 5,7-Dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-4H-1-benzopyran-4-one
    • 124596-88-9

  • Applications

    Gancaonin D (CAS 124596-88-9) is primarily used as an intermediate in organic synthesis and as a research chemical. In industry, it may serve as a building block in the production of fine chemicals and pharmaceutical research compounds; it can be evaluated for cosmetic/personal care applications as a functional ingredient based on its polyphenolic structure; it may be used as an additive or stabilizer in polymers/plastics formulations; it may find use in coatings and inks as a functional additive; it could also be explored in cleaning formulations as a specialty ingredient, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.49
    methanol 0.73
    isopropanol 0.83
    water 0.0
    ethyl acetate 0.36
    n-propanol 1.38
    acetone 1.16
    n-butanol 0.88
    acetonitrile 0.25
    DMF 14.38
    toluene 0.07
    isobutanol 0.83
    1,4-dioxane 2.65
    methyl acetate 0.95
    THF 11.48
    2-butanone 2.7
    n-pentanol 0.72
    sec-butanol 1.29
    n-hexane 0.01
    ethylene glycol 1.55
    NMP 16.71
    cyclohexane 0.01
    DMSO 61.56
    n-butyl acetate 0.35
    n-octanol 0.3
    chloroform 0.12
    n-propyl acetate 0.47
    acetic acid 2.96
    dichloromethane 0.14
    cyclohexanone 3.47
    propylene glycol 3.48
    isopropyl acetate 0.33
    DMAc 27.85
    2-ethoxyethanol 6.57
    isopentanol 0.78
    n-heptane 0.01
    ethyl formate 0.37
    1,2-dichloroethane 0.2
    n-hexanol 0.37
    2-methoxyethanol 15.89
    isobutyl acetate 0.29
    tetrachloromethane 0.02
    n-pentyl acetate 0.56
    transcutol 21.14
    n-heptanol 0.46
    ethylbenzene 0.05
    MIBK 0.59
    2-propoxyethanol 6.22
    tert-butanol 1.22
    MTBE 0.43
    2-butoxyethanol 3.5
    propionic acid 2.01
    o-xylene 0.07
    formic acid 2.01
    diethyl ether 0.27
    m-xylene 0.05
    p-xylene 0.08
    chlorobenzene 0.06
    dimethyl carbonate 1.07
    n-octane 0.01
    formamide 3.42
    cyclopentanone 6.84
    2-pentanone 0.94
    anisole 0.34
    cyclopentyl methyl ether 0.86
    gamma-butyrolactone 6.32
    1-methoxy-2-propanol 11.87
    pyridine 1.83
    3-pentanone 0.84
    furfural 4.56
    n-dodecane 0.01
    diethylene glycol 8.18
    diisopropyl ether 0.07
    tert-amyl alcohol 1.34
    acetylacetone 1.65
    n-hexadecane 0.01
    acetophenone 0.71
    methyl propionate 1.05
    isopentyl acetate 0.5
    trichloroethylene 0.57
    n-nonanol 0.4
    cyclohexanol 0.84
    benzyl alcohol 0.73
    2-ethylhexanol 0.25
    isooctanol 0.44
    dipropyl ether 0.36
    1,2-dichlorobenzene 0.08
    ethyl lactate 1.28
    propylene carbonate 1.12
    n-methylformamide 3.41
    2-pentanol 0.49
    n-pentane 0.01
    1-propoxy-2-propanol 4.03
    1-methoxy-2-propyl acetate 2.05
    2-(2-methoxypropoxy) propanol 5.61
    mesitylene 0.03
    ε-caprolactone 2.88
    p-cymene 0.07
    epichlorohydrin 6.75
    1,1,1-trichloroethane 0.07
    2-aminoethanol 2.83
    morpholine-4-carbaldehyde 15.41
    sulfolane 26.53
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.0
    n-hexyl acetate 0.72
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 6.57
    sec-butyl acetate 0.31
    tert-butyl acetate 0.7
    decalin 0.01
    glycerin 12.19
    diglyme 12.44
    acrylic acid 2.56
    isopropyl myristate 0.33
    n-butyric acid 1.31
    acetyl acetate 0.29
    di(2-ethylhexyl) phthalate 0.69
    ethyl propionate 0.47
    nitromethane 6.31
    1,2-diethoxyethane 1.77
    benzonitrile 0.29
    trioctyl phosphate 0.47
    1-bromopropane 0.09
    gamma-valerolactone 18.17
    n-decanol 0.29
    triethyl phosphate 0.49
    4-methyl-2-pentanol 0.29
    propionitrile 0.46
    vinylene carbonate 0.96
    1,1,2-trichlorotrifluoroethane 12.48
    DMS 1.09
    cumene 0.04
    2-octanol 0.27
    2-hexanone 0.93
    octyl acetate 0.47
    limonene 0.11
    1,2-dimethoxyethane 7.4
    ethyl orthosilicate 0.44
    tributyl phosphate 0.53
    diacetone alcohol 4.06
    N,N-dimethylaniline 0.34
    acrylonitrile 0.95
    aniline 0.45
    1,3-propanediol 4.17
    bromobenzene 0.04
    dibromomethane 0.06
    1,1,2,2-tetrachloroethane 0.69
    2-methyl-cyclohexyl acetate 0.62
    tetrabutyl urea 1.11
    diisobutyl methanol 0.22
    2-phenylethanol 0.64
    styrene 0.05
    dioctyl adipate 0.89
    dimethyl sulfate 3.79
    ethyl butyrate 0.4
    methyl lactate 3.62
    butyl lactate 1.49
    diethyl carbonate 0.3
    propanediol butyl ether 4.01
    triethyl orthoformate 0.62
    p-tert-butyltoluene 0.07
    methyl 4-tert-butylbenzoate 1.83
    morpholine 6.75
    tert-butylamine 0.25
    n-dodecanol 0.19
    dimethoxymethane 5.81
    ethylene carbonate 0.66
    cyrene 5.94
    2-ethoxyethyl acetate 1.67
    2-ethylhexyl acetate 0.33
    1,2,4-trichlorobenzene 0.19
    4-methylpyridine 0.77
    dibutyl ether 0.32
    2,6-dimethyl-4-heptanol 0.22
    DEF 2.11
    dimethyl isosorbide 7.42
    tetrachloroethylene 0.31
    eugenol 2.46
    triacetin 1.97
    span 80 3.43
    1,4-butanediol 1.27
    1,1-dichloroethane 0.08
    2-methyl-1-pentanol 0.71
    methyl formate 1.87
    2-methyl-1-butanol 0.97
    n-decane 0.01
    butyronitrile 0.27
    3,7-dimethyl-1-octanol 0.36
    1-chlorooctane 0.07
    1-chlorotetradecane 0.03
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 1.57
    tetrahydropyran 1.06
    tert-amyl methyl ether 0.51
    2,5,8-trioxanonane 9.47
    1-hexene 0.04
    2-isopropoxyethanol 3.56
    2,2,2-trifluoroethanol 1.06
    methyl butyrate 0.75

    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