Gancaonin E

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  • Identifiers

    CAS number
    124596-89-0

    Molecular formula
    C25H28O6

    SMILES
    CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 48.76%
    Phenolic 44.59%
    Woody 31.14%
    Odorless 30.66%
    Smoky 27.37%
    Burnt 24.45%
    Dry 24.22%
    Fruity 23.21%
    Balsamic 22.79%
    Sweet 22.75%

     

    Flavor
    Bitter 85.8%
    Cedarleaf 20.17%
    Lovage 20.06%
    Parsley 19.97%
    Bland 19.15%
    Basil 18.6%
    Heather 18.46%
    Thymol 18.25%
    Eugenol 18.23%
    Broom 18.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    9.85 (weak base)

    Molecular weight
    424.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1280°C

    Melting point expt.

    • 203 - 207 °C

    Flash point

    • 233.88 ˚C est.

  • Synonyms

    • Gancaonin E
    • 124596-89-0
    • 2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
    • 2-(3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
    • RefChem:1085712
    • 2-[3,4-Dihydroxy-5-((E)-3-methyl-but-2-enyl)-phenyl]-5,7-dihydroxy-8-(3-methyl-but-2-enyl)-1-benzopyran-4-one
    • (S)-3',4',5,7-Tetrahydroxy-5',8-diprenylflavanone
    • 2-(3,4-Dihydroxy-5-((E)-3-methyl-but-2-enyl)-phenyl)-5,7-dihydroxy-8-(3-methyl-but-2-enyl)-1-benzopyran-4-one
    • SCHEMBL1170822
    • Flavanone base + 4O, 2Prenyl
    • DTXSID10924869
    • CHEBI:175410
    • LMPK12140402
    • 2-[3,4-Dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one
    • 2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chroman-4-one
    • 124596-89-0

  • Applications

    Gancaonin E (CAS 124596-89-0) is a natural product that can play a role in research and development as an organic synthesis intermediate and as an analytical reference material. In industrial contexts, it may be evaluated for fragrance and flavor applications as a precursor or aroma-active compound; in cosmetics, it is considered for antioxidant or formulation-related roles; in pharmaceutical research it can serve as a lead structure or starting point for medicinal chemistry explorations; it may also be explored as a niche specialty additive in coatings or inks due to its aromatic phenolic framework; in agriculture it is sometimes investigated as a phytochemical lead for crop protection. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.24
    methanol 23.94
    isopropanol 17.35
    water 0.02
    ethyl acetate 40.29
    n-propanol 24.65
    acetone 79.52
    n-butanol 17.57
    acetonitrile 18.71
    DMF 199.9
    toluene 7.17
    isobutanol 15.15
    1,4-dioxane 69.45
    methyl acetate 51.27
    THF 323.24
    2-butanone 77.52
    n-pentanol 14.53
    sec-butanol 18.46
    n-hexane 0.24
    ethylene glycol 5.27
    NMP 162.03
    cyclohexane 0.35
    DMSO 319.25
    n-butyl acetate 21.22
    n-octanol 8.83
    chloroform 78.03
    n-propyl acetate 24.12
    acetic acid 83.84
    dichloromethane 47.47
    cyclohexanone 79.38
    propylene glycol 20.43
    isopropyl acetate 26.36
    DMAc 316.69
    2-ethoxyethanol 60.64
    isopentanol 14.23
    n-heptane 0.3
    ethyl formate 22.75
    1,2-dichloroethane 33.89
    n-hexanol 10.56
    2-methoxyethanol 108.37
    isobutyl acetate 15.57
    tetrachloromethane 4.22
    n-pentyl acetate 20.84
    transcutol 156.02
    n-heptanol 10.07
    ethylbenzene 3.41
    MIBK 25.01
    2-propoxyethanol 77.52
    tert-butanol 25.53
    MTBE 17.78
    2-butoxyethanol 40.84
    propionic acid 39.24
    o-xylene 4.52
    formic acid 23.53
    diethyl ether 14.69
    m-xylene 4.38
    p-xylene 4.97
    chlorobenzene 11.96
    dimethyl carbonate 43.71
    n-octane 0.2
    formamide 43.7
    cyclopentanone 165.1
    2-pentanone 46.89
    anisole 18.47
    cyclopentyl methyl ether 37.76
    gamma-butyrolactone 165.64
    1-methoxy-2-propanol 105.83
    pyridine 51.36
    3-pentanone 37.46
    furfural 77.23
    n-dodecane 0.26
    diethylene glycol 51.86
    diisopropyl ether 3.41
    tert-amyl alcohol 22.37
    acetylacetone 83.77
    n-hexadecane 0.31
    acetophenone 25.18
    methyl propionate 58.42
    isopentyl acetate 22.17
    trichloroethylene 108.51
    n-nonanol 9.5
    cyclohexanol 15.04
    benzyl alcohol 20.28
    2-ethylhexanol 6.94
    isooctanol 8.9
    dipropyl ether 11.47
    1,2-dichlorobenzene 11.9
    ethyl lactate 25.14
    propylene carbonate 50.63
    n-methylformamide 67.04
    2-pentanol 10.7
    n-pentane 0.22
    1-propoxy-2-propanol 52.01
    1-methoxy-2-propyl acetate 51.71
    2-(2-methoxypropoxy) propanol 44.67
    mesitylene 2.44
    ε-caprolactone 65.89
    p-cymene 3.08
    epichlorohydrin 195.67
    1,1,1-trichloroethane 28.01
    2-aminoethanol 17.86
    morpholine-4-carbaldehyde 160.55
    sulfolane 241.77
    2,2,4-trimethylpentane 0.33
    2-methyltetrahydrofuran 63.59
    n-hexyl acetate 24.04
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 57.98
    sec-butyl acetate 16.86
    tert-butyl acetate 31.73
    decalin 0.35
    glycerin 37.66
    diglyme 104.54
    acrylic acid 39.91
    isopropyl myristate 9.29
    n-butyric acid 46.33
    acetyl acetate 30.63
    di(2-ethylhexyl) phthalate 13.66
    ethyl propionate 24.49
    nitromethane 182.11
    1,2-diethoxyethane 34.98
    benzonitrile 15.13
    trioctyl phosphate 9.92
    1-bromopropane 11.84
    gamma-valerolactone 214.44
    n-decanol 6.58
    triethyl phosphate 13.3
    4-methyl-2-pentanol 7.66
    propionitrile 20.84
    vinylene carbonate 43.45
    1,1,2-trichlorotrifluoroethane 126.45
    DMS 32.89
    cumene 2.53
    2-octanol 6.96
    2-hexanone 27.51
    octyl acetate 13.62
    limonene 4.22
    1,2-dimethoxyethane 92.06
    ethyl orthosilicate 12.54
    tributyl phosphate 11.34
    diacetone alcohol 62.04
    N,N-dimethylaniline 13.92
    acrylonitrile 32.31
    aniline 17.13
    1,3-propanediol 29.98
    bromobenzene 10.07
    dibromomethane 22.21
    1,1,2,2-tetrachloroethane 82.92
    2-methyl-cyclohexyl acetate 17.74
    tetrabutyl urea 17.35
    diisobutyl methanol 5.57
    2-phenylethanol 19.34
    styrene 4.24
    dioctyl adipate 17.82
    dimethyl sulfate 90.03
    ethyl butyrate 17.6
    methyl lactate 55.55
    butyl lactate 26.3
    diethyl carbonate 12.84
    propanediol butyl ether 38.82
    triethyl orthoformate 17.34
    p-tert-butyltoluene 3.23
    methyl 4-tert-butylbenzoate 31.53
    morpholine 111.1
    tert-butylamine 7.39
    n-dodecanol 4.45
    dimethoxymethane 129.05
    ethylene carbonate 34.21
    cyrene 53.61
    2-ethoxyethyl acetate 40.3
    2-ethylhexyl acetate 15.55
    1,2,4-trichlorobenzene 21.2
    4-methylpyridine 38.17
    dibutyl ether 8.95
    2,6-dimethyl-4-heptanol 5.57
    DEF 63.02
    dimethyl isosorbide 85.59
    tetrachloroethylene 36.04
    eugenol 30.47
    triacetin 39.03
    span 80 33.16
    1,4-butanediol 11.71
    1,1-dichloroethane 31.44
    2-methyl-1-pentanol 12.67
    methyl formate 52.19
    2-methyl-1-butanol 14.96
    n-decane 0.47
    butyronitrile 15.18
    3,7-dimethyl-1-octanol 9.24
    1-chlorooctane 3.37
    1-chlorotetradecane 1.3
    n-nonane 0.36
    undecane 0.34
    tert-butylcyclohexane 0.38
    cyclooctane 0.16
    cyclopentanol 29.22
    tetrahydropyran 42.26
    tert-amyl methyl ether 16.21
    2,5,8-trioxanonane 73.0
    1-hexene 1.55
    2-isopropoxyethanol 39.05
    2,2,2-trifluoroethanol 24.73
    methyl butyrate 32.14

    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