Gancaonin G

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  • Identifiers

    CAS number
    126716-34-5

    Molecular formula
    C21H20O5

    SMILES
    CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 57.64%
    Spicy 50.87%
    Woody 36.69%
    Smoky 34.88%
    Sweet 33.41%
    Medicinal 32.18%
    Leathery 28.96%
    Herbal 28.0%
    Dry 27.94%
    Animal 27.81%

     

    Flavor
    Bitter 91.3%
    Parsley 20.03%
    Cedarleaf 19.86%
    Lovage 19.81%
    Nitrile 18.4%
    Heather 18.34%
    Ripe apricot 18.32%
    Broom 18.29%
    Eugenol 18.22%
    Red fruit 18.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    9.38 (weak base)

    Molecular weight
    352.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    778°C

    Melting point expt.

    • 95 - 98 °C

    Flash point

    • 217.71 ˚C est.

  • Synonyms

    • Gancaonin G
    • 126716-34-5
    • 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one
    • 6FEL0FW4CB
    • 4H-1-BENZOPYRAN-4-ONE, 5-HYDROXY-3-(4-HYDROXYPHENYL)-7-METHOXY-6-(3-METHYL-2-BUTEN-1-YL)-
    • UNII-6FEL0FW4CB
    • 5-Hydroxy-3-(4-hydroxy-phenyl)-7-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-4-one
    • DTXSID70155273
    • RefChem:142380
    • DTXCID6077764
    • 5,4'-Dihydroxy-7-methoxy-6-prenylisoflavone
    • GancaoninG
    • CHEMBL494253
    • orb1682534
    • SCHEMBL1171175
    • CHEBI:175513
    • BFA71634
    • HY-N3920
    • LMPK12050352
    • MFCD28100636
    • AKOS032949067
    • DA-53484
    • CS-0024456
    • 4',5-Dihydroxy-7-methoxy-6-prenylisoflavone
    • 5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-en-1-yl)-4H-1-benzopyran-4-one
    • 126716-34-5

  • Applications

    Gancaonin G (CAS 126716-34-5) is an organic compound primarily used as an intermediate in organic synthesis. In practice, it is commonly viewed as a building block for the preparation of pharmaceutical and agrochemical compounds, and can serve as a framework for more complex molecular architectures in medicinal chemistry and materials science. It is also explored as a potential precursor for polymers or coating formulations in the materials industry, and may be studied in cosmetics and personal care research at the development and testing stage, subject to regulatory requirements and purity. Additionally, it can be used as an analytical standard or reference compound in R&D work. Actual use depends on local regulations, purity, and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.19
    methanol 2.0
    isopropanol 2.56
    water 0.0
    ethyl acetate 3.9
    n-propanol 3.99
    acetone 11.53
    n-butanol 2.8
    acetonitrile 2.64
    DMF 36.93
    toluene 2.37
    isobutanol 3.16
    1,4-dioxane 16.65
    methyl acetate 8.39
    THF 77.27
    2-butanone 17.17
    n-pentanol 2.66
    sec-butanol 3.11
    n-hexane 0.03
    ethylene glycol 1.31
    NMP 42.33
    cyclohexane 0.06
    DMSO 92.31
    n-butyl acetate 3.76
    n-octanol 0.83
    chloroform 12.13
    n-propyl acetate 4.08
    acetic acid 9.66
    dichloromethane 12.93
    cyclohexanone 22.9
    propylene glycol 3.25
    isopropyl acetate 3.21
    DMAc 76.18
    2-ethoxyethanol 11.77
    isopentanol 3.17
    n-heptane 0.03
    ethyl formate 3.04
    1,2-dichloroethane 10.21
    n-hexanol 1.83
    2-methoxyethanol 23.73
    isobutyl acetate 3.4
    tetrachloromethane 0.42
    n-pentyl acetate 2.97
    transcutol 43.69
    n-heptanol 1.31
    ethylbenzene 0.83
    MIBK 4.46
    2-propoxyethanol 15.73
    tert-butanol 3.92
    MTBE 2.49
    2-butoxyethanol 7.93
    propionic acid 5.7
    o-xylene 1.1
    formic acid 2.64
    diethyl ether 1.59
    m-xylene 1.0
    p-xylene 1.44
    chlorobenzene 3.25
    dimethyl carbonate 5.43
    n-octane 0.02
    formamide 5.53
    cyclopentanone 44.56
    2-pentanone 6.93
    anisole 4.22
    cyclopentyl methyl ether 7.45
    gamma-butyrolactone 35.57
    1-methoxy-2-propanol 16.09
    pyridine 24.34
    3-pentanone 5.9
    furfural 25.37
    n-dodecane 0.03
    diethylene glycol 12.33
    diisopropyl ether 0.39
    tert-amyl alcohol 3.75
    acetylacetone 12.83
    n-hexadecane 0.03
    acetophenone 6.91
    methyl propionate 6.76
    isopentyl acetate 4.85
    trichloroethylene 33.27
    n-nonanol 1.13
    cyclohexanol 3.54
    benzyl alcohol 5.98
    2-ethylhexanol 1.38
    isooctanol 1.43
    dipropyl ether 1.51
    1,2-dichlorobenzene 3.08
    ethyl lactate 4.18
    propylene carbonate 9.37
    n-methylformamide 8.41
    2-pentanol 1.39
    n-pentane 0.02
    1-propoxy-2-propanol 9.51
    1-methoxy-2-propyl acetate 10.6
    2-(2-methoxypropoxy) propanol 12.31
    mesitylene 0.45
    ε-caprolactone 16.39
    p-cymene 0.77
    epichlorohydrin 67.22
    1,1,1-trichloroethane 4.59
    2-aminoethanol 3.25
    morpholine-4-carbaldehyde 40.2
    sulfolane 60.65
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 16.67
    n-hexyl acetate 3.36
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 13.9
    sec-butyl acetate 3.05
    tert-butyl acetate 4.89
    decalin 0.07
    glycerin 8.55
    diglyme 31.6
    acrylic acid 7.06
    isopropyl myristate 1.6
    n-butyric acid 5.96
    acetyl acetate 3.45
    di(2-ethylhexyl) phthalate 3.26
    ethyl propionate 3.72
    nitromethane 25.15
    1,2-diethoxyethane 7.14
    benzonitrile 4.5
    trioctyl phosphate 1.68
    1-bromopropane 2.25
    gamma-valerolactone 66.04
    n-decanol 0.84
    triethyl phosphate 3.04
    4-methyl-2-pentanol 1.22
    propionitrile 3.5
    vinylene carbonate 8.65
    1,1,2-trichlorotrifluoroethane 40.45
    DMS 6.97
    cumene 0.6
    2-octanol 0.71
    2-hexanone 6.44
    octyl acetate 1.98
    limonene 0.94
    1,2-dimethoxyethane 21.4
    ethyl orthosilicate 2.59
    tributyl phosphate 2.31
    diacetone alcohol 11.99
    N,N-dimethylaniline 3.08
    acrylonitrile 6.36
    aniline 6.26
    1,3-propanediol 6.31
    bromobenzene 2.79
    dibromomethane 4.41
    1,1,2,2-tetrachloroethane 24.25
    2-methyl-cyclohexyl acetate 4.45
    tetrabutyl urea 4.16
    diisobutyl methanol 1.06
    2-phenylethanol 5.75
    styrene 1.06
    dioctyl adipate 3.78
    dimethyl sulfate 13.97
    ethyl butyrate 3.18
    methyl lactate 7.51
    butyl lactate 4.64
    diethyl carbonate 2.59
    propanediol butyl ether 6.53
    triethyl orthoformate 3.38
    p-tert-butyltoluene 0.69
    methyl 4-tert-butylbenzoate 7.04
    morpholine 31.42
    tert-butylamine 1.16
    n-dodecanol 0.61
    dimethoxymethane 18.95
    ethylene carbonate 6.17
    cyrene 13.7
    2-ethoxyethyl acetate 8.14
    2-ethylhexyl acetate 3.45
    1,2,4-trichlorobenzene 6.04
    4-methylpyridine 13.57
    dibutyl ether 1.29
    2,6-dimethyl-4-heptanol 1.06
    DEF 9.83
    dimethyl isosorbide 23.59
    tetrachloroethylene 8.92
    eugenol 8.29
    triacetin 6.96
    span 80 7.24
    1,4-butanediol 1.88
    1,1-dichloroethane 4.69
    2-methyl-1-pentanol 3.27
    methyl formate 6.95
    2-methyl-1-butanol 3.17
    n-decane 0.04
    butyronitrile 2.7
    3,7-dimethyl-1-octanol 1.42
    1-chlorooctane 0.35
    1-chlorotetradecane 0.19
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.06
    cyclooctane 0.02
    cyclopentanol 6.44
    tetrahydropyran 10.26
    tert-amyl methyl ether 2.24
    2,5,8-trioxanonane 22.42
    1-hexene 0.24
    2-isopropoxyethanol 8.13
    2,2,2-trifluoroethanol 2.54
    methyl butyrate 5.46

    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