Gancaonin L

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  • Identifiers

    CAS number
    129145-50-2

    Molecular formula
    C20H18O6

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 60.76%
    Odorless 42.04%
    Spicy 39.49%
    Burnt 35.99%
    Smoky 33.73%
    Medicinal 29.22%
    Woody 25.24%
    Dry 23.66%
    Balsamic 20.81%
    Animal 20.62%

     

    Flavor
    Bitter 93.82%
    Odorless 20.98%
    Cedarleaf 20.39%
    Parsley 19.69%
    Lovage 19.66%
    Nitrile 19.25%
    Sweet-like 19.08%
    Eugenol 19.0%
    Very strong 18.97%
    Bland 18.69%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    10.11 (weak base)

    Molecular weight
    354.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1028°C

    Melting point expt.

    • 189 - 192 °C

    Flash point

    • 246.65 ˚C est.

  • Synonyms

    • Gancaonin L
    • 129145-50-2
    • 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
    • RefChem:142383
    • 4H-1-Benzopyran-4-one, 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-
    • 5,7,3',4'-Tetrahydroxy-8-prenylisoflavone
    • GancaoninL
    • 5XEX66S4H2
    • CHEMBL590636
    • orb2279334
    • SCHEMBL1171458
    • SCHEMBL30645541
    • CHEBI:175550
    • DTXSID301318215
    • HY-N11773
    • LMPK12050242
    • DA-53485
    • CS-0834526
    • 3-(3,4-Bis(oxidanyl)phenyl)-8-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)chromen-4-one
    • 3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
    • 3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CI
    • 3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-4H-1-benzopyran-4-one
    • 129145-50-2

  • Applications

    Gancaonin L, CAS 129145-50-2, is primarily considered a specialty chemical suitable as an intermediate in organic synthesis and as a building block for flavonoid-like and natural-product-derived compounds. It is often evaluated in research settings for pharmaceutical and agrochemical lead development, providing a structural motif for library generation. In industrial contexts, it may be explored as a precursor or functional component in coatings or inks formulations and as a candidate ingredient in cosmetic or personal care products where natural-product-type materials are of interest; its use is subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.73
    methanol 1.73
    isopropanol 2.0
    water 0.0
    ethyl acetate 1.11
    n-propanol 3.1
    acetone 2.51
    n-butanol 2.18
    acetonitrile 0.84
    DMF 31.57
    toluene 0.17
    isobutanol 1.79
    1,4-dioxane 5.62
    methyl acetate 2.6
    THF 34.91
    2-butanone 5.78
    n-pentanol 1.95
    sec-butanol 2.6
    n-hexane 0.01
    ethylene glycol 2.81
    NMP 28.41
    cyclohexane 0.01
    DMSO 116.32
    n-butyl acetate 1.41
    n-octanol 0.73
    chloroform 0.1
    n-propyl acetate 1.5
    acetic acid 5.78
    dichloromethane 0.12
    cyclohexanone 6.84
    propylene glycol 9.04
    isopropyl acetate 1.08
    DMAc 50.76
    2-ethoxyethanol 15.08
    isopentanol 1.94
    n-heptane 0.02
    ethyl formate 1.0
    1,2-dichloroethane 0.28
    n-hexanol 1.02
    2-methoxyethanol 40.75
    isobutyl acetate 1.03
    tetrachloromethane 0.02
    n-pentyl acetate 1.7
    transcutol 58.84
    n-heptanol 1.08
    ethylbenzene 0.12
    MIBK 1.75
    2-propoxyethanol 19.01
    tert-butanol 3.06
    MTBE 1.01
    2-butoxyethanol 9.05
    propionic acid 3.76
    o-xylene 0.14
    formic acid 3.21
    diethyl ether 0.48
    m-xylene 0.13
    p-xylene 0.18
    chlorobenzene 0.13
    dimethyl carbonate 2.21
    n-octane 0.01
    formamide 6.32
    cyclopentanone 17.68
    2-pentanone 2.36
    anisole 1.01
    cyclopentyl methyl ether 2.19
    gamma-butyrolactone 17.72
    1-methoxy-2-propanol 32.24
    pyridine 4.67
    3-pentanone 1.48
    furfural 10.98
    n-dodecane 0.01
    diethylene glycol 20.69
    diisopropyl ether 0.14
    tert-amyl alcohol 2.97
    acetylacetone 4.92
    n-hexadecane 0.02
    acetophenone 2.03
    methyl propionate 2.7
    isopentyl acetate 1.86
    trichloroethylene 0.82
    n-nonanol 0.95
    cyclohexanol 1.48
    benzyl alcohol 2.15
    2-ethylhexanol 0.66
    isooctanol 1.07
    dipropyl ether 0.81
    1,2-dichlorobenzene 0.16
    ethyl lactate 3.14
    propylene carbonate 3.44
    n-methylformamide 7.12
    2-pentanol 1.11
    n-pentane 0.01
    1-propoxy-2-propanol 12.2
    1-methoxy-2-propyl acetate 6.82
    2-(2-methoxypropoxy) propanol 12.54
    mesitylene 0.08
    ε-caprolactone 6.71
    p-cymene 0.19
    epichlorohydrin 17.88
    1,1,1-trichloroethane 0.13
    2-aminoethanol 6.07
    morpholine-4-carbaldehyde 31.99
    sulfolane 52.4
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 5.28
    n-hexyl acetate 2.04
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 17.44
    sec-butyl acetate 1.09
    tert-butyl acetate 2.33
    decalin 0.01
    glycerin 24.86
    diglyme 27.69
    acrylic acid 4.72
    isopropyl myristate 0.99
    n-butyric acid 3.14
    acetyl acetate 0.82
    di(2-ethylhexyl) phthalate 1.89
    ethyl propionate 1.28
    nitromethane 13.33
    1,2-diethoxyethane 5.05
    benzonitrile 0.98
    trioctyl phosphate 1.3
    1-bromopropane 0.12
    gamma-valerolactone 45.21
    n-decanol 0.72
    triethyl phosphate 1.18
    4-methyl-2-pentanol 0.79
    propionitrile 1.11
    vinylene carbonate 2.39
    1,1,2-trichlorotrifluoroethane 21.96
    DMS 2.98
    cumene 0.1
    2-octanol 0.64
    2-hexanone 2.52
    octyl acetate 1.36
    limonene 0.24
    1,2-dimethoxyethane 17.52
    ethyl orthosilicate 1.11
    tributyl phosphate 1.49
    diacetone alcohol 11.89
    N,N-dimethylaniline 0.9
    acrylonitrile 2.21
    aniline 1.18
    1,3-propanediol 9.98
    bromobenzene 0.08
    dibromomethane 0.06
    1,1,2,2-tetrachloroethane 0.96
    2-methyl-cyclohexyl acetate 1.83
    tetrabutyl urea 2.78
    diisobutyl methanol 0.63
    2-phenylethanol 2.12
    styrene 0.11
    dioctyl adipate 2.34
    dimethyl sulfate 7.04
    ethyl butyrate 1.25
    methyl lactate 8.51
    butyl lactate 4.29
    diethyl carbonate 0.83
    propanediol butyl ether 10.93
    triethyl orthoformate 1.78
    p-tert-butyltoluene 0.22
    methyl 4-tert-butylbenzoate 4.57
    morpholine 16.42
    tert-butylamine 0.56
    n-dodecanol 0.51
    dimethoxymethane 13.06
    ethylene carbonate 1.64
    cyrene 13.06
    2-ethoxyethyl acetate 4.91
    2-ethylhexyl acetate 1.18
    1,2,4-trichlorobenzene 0.42
    4-methylpyridine 2.46
    dibutyl ether 0.75
    2,6-dimethyl-4-heptanol 0.63
    DEF 4.73
    dimethyl isosorbide 19.12
    tetrachloroethylene 0.34
    eugenol 6.06
    triacetin 4.97
    span 80 8.26
    1,4-butanediol 2.7
    1,1-dichloroethane 0.12
    2-methyl-1-pentanol 1.84
    methyl formate 4.1
    2-methyl-1-butanol 2.06
    n-decane 0.02
    butyronitrile 0.81
    3,7-dimethyl-1-octanol 1.06
    1-chlorooctane 0.12
    1-chlorotetradecane 0.08
    n-nonane 0.01
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 3.16
    tetrahydropyran 2.3
    tert-amyl methyl ether 1.18
    2,5,8-trioxanonane 20.31
    1-hexene 0.07
    2-isopropoxyethanol 8.24
    2,2,2-trifluoroethanol 1.49
    methyl butyrate 2.2

    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