Gancaonin Q

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  • Identifiers

    CAS number
    134958-52-4

    Molecular formula
    C25H26O5

    SMILES
    CC(=CCC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 46.36%
    Spicy 43.83%
    Fruity 38.75%
    Woody 31.88%
    Smoky 26.93%
    Dry 26.53%
    Burnt 25.94%
    Animal 24.81%
    Herbal 24.53%
    Leathery 23.81%

     

    Flavor
    Bitter 84.04%
    Cedarleaf 20.03%
    Parsley 19.95%
    Lovage 19.88%
    Nitrile 18.91%
    Heather 18.85%
    Thymol 18.78%
    Broom 18.7%
    Basil 18.62%
    Genet 18.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    9.86 (weak base)

    Molecular weight
    406.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    976°C

    Melting point expt.

    • 212 - 214 °C

    Flash point

    • 233.96 ˚C est.

  • Synonyms

    • Gancaonin Q
    • 134958-52-4
    • 5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one
    • DTXSID10159154
    • 5,7-dihydroxy-2-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)-6-(3-methylbut-2-enyl)chromen-4-one
    • RefChem:142384
    • DTXCID9081645
    • CHEMBL4061417
    • 5,7-Dihydroxy-2-[4-hydroxy-3-((E)-3-methyl-but-2-enyl)-phenyl]-6-(3-methyl-but-2-enyl)-1-benzopyran-4-one
    • 5,7-Dihydroxy-2-(4-hydroxy-3-((E)-3-methyl-but-2-enyl)-phenyl)-6-(3-methyl-but-2-enyl)-1-benzopyran-4-one
    • SCHEMBL24075640
    • CHEBI:175260
    • BDBM50253205
    • LMPK12110409
    • 5,7-Dihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CI
    • 5,7-Dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-6-(3-methylbut-2-en-1-yl)-4H-1-benzopyran-4-one
    • 134958-52-4

  • Applications

    Gancaonin Q (CAS 134958-52-4) is mainly encountered as an intermediate in organic synthesis and is commonly evaluated for research-oriented applications across several industries. Potential uses include as a fragrance component (odorant) in perfumery, as a specialty ingredient in cosmetics/personal care with potential antioxidant or stabilizing properties, as a functional additive for coatings and inks, and as a building block for polymer/plastics formulations and as a starting material for pharmaceutical research and development; practical applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.77
    methanol 2.02
    isopropanol 1.51
    water 0.0
    ethyl acetate 2.0
    n-propanol 2.54
    acetone 5.16
    n-butanol 1.6
    acetonitrile 1.58
    DMF 29.28
    toluene 0.98
    isobutanol 1.69
    1,4-dioxane 11.64
    methyl acetate 5.26
    THF 50.22
    2-butanone 8.4
    n-pentanol 1.99
    sec-butanol 1.97
    n-hexane 0.03
    ethylene glycol 1.14
    NMP 37.59
    cyclohexane 0.03
    DMSO 60.08
    n-butyl acetate 2.81
    n-octanol 1.11
    chloroform 6.36
    n-propyl acetate 3.03
    acetic acid 9.3
    dichloromethane 6.13
    cyclohexanone 9.97
    propylene glycol 4.77
    isopropyl acetate 1.97
    DMAc 58.19
    2-ethoxyethanol 11.13
    isopentanol 1.54
    n-heptane 0.03
    ethyl formate 1.9
    1,2-dichloroethane 4.11
    n-hexanol 1.2
    2-methoxyethanol 19.7
    isobutyl acetate 2.64
    tetrachloromethane 0.24
    n-pentyl acetate 3.73
    transcutol 77.54
    n-heptanol 1.45
    ethylbenzene 0.45
    MIBK 2.45
    2-propoxyethanol 15.79
    tert-butanol 2.24
    MTBE 1.61
    2-butoxyethanol 9.55
    propionic acid 5.18
    o-xylene 0.5
    formic acid 3.04
    diethyl ether 0.87
    m-xylene 0.54
    p-xylene 0.84
    chlorobenzene 1.55
    dimethyl carbonate 4.36
    n-octane 0.02
    formamide 5.73
    cyclopentanone 26.25
    2-pentanone 3.26
    anisole 3.47
    cyclopentyl methyl ether 4.29
    gamma-butyrolactone 32.15
    1-methoxy-2-propanol 17.22
    pyridine 13.82
    3-pentanone 2.86
    furfural 20.71
    n-dodecane 0.03
    diethylene glycol 11.44
    diisopropyl ether 0.25
    tert-amyl alcohol 2.39
    acetylacetone 8.44
    n-hexadecane 0.03
    acetophenone 4.99
    methyl propionate 4.37
    isopentyl acetate 3.62
    trichloroethylene 16.98
    n-nonanol 1.34
    cyclohexanol 1.48
    benzyl alcohol 3.87
    2-ethylhexanol 0.9
    isooctanol 1.44
    dipropyl ether 1.45
    1,2-dichlorobenzene 1.53
    ethyl lactate 3.69
    propylene carbonate 7.68
    n-methylformamide 7.42
    2-pentanol 0.85
    n-pentane 0.02
    1-propoxy-2-propanol 11.74
    1-methoxy-2-propyl acetate 10.29
    2-(2-methoxypropoxy) propanol 16.35
    mesitylene 0.24
    ε-caprolactone 10.27
    p-cymene 0.47
    epichlorohydrin 49.3
    1,1,1-trichloroethane 1.95
    2-aminoethanol 3.1
    morpholine-4-carbaldehyde 43.05
    sulfolane 62.59
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 9.54
    n-hexyl acetate 4.26
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 20.12
    sec-butyl acetate 2.14
    tert-butyl acetate 3.62
    decalin 0.04
    glycerin 11.34
    diglyme 38.83
    acrylic acid 6.91
    isopropyl myristate 1.59
    n-butyric acid 4.04
    acetyl acetate 2.37
    di(2-ethylhexyl) phthalate 3.43
    ethyl propionate 2.43
    nitromethane 23.43
    1,2-diethoxyethane 8.9
    benzonitrile 2.64
    trioctyl phosphate 1.74
    1-bromopropane 0.89
    gamma-valerolactone 56.51
    n-decanol 0.9
    triethyl phosphate 2.26
    4-methyl-2-pentanol 0.72
    propionitrile 1.79
    vinylene carbonate 7.12
    1,1,2-trichlorotrifluoroethane 38.57
    DMS 6.9
    cumene 0.36
    2-octanol 0.85
    2-hexanone 3.94
    octyl acetate 2.14
    limonene 0.51
    1,2-dimethoxyethane 18.6
    ethyl orthosilicate 2.1
    tributyl phosphate 2.18
    diacetone alcohol 9.95
    N,N-dimethylaniline 2.47
    acrylonitrile 3.82
    aniline 2.92
    1,3-propanediol 4.45
    bromobenzene 1.32
    dibromomethane 2.15
    1,1,2,2-tetrachloroethane 12.58
    2-methyl-cyclohexyl acetate 3.72
    tetrabutyl urea 3.73
    diisobutyl methanol 0.75
    2-phenylethanol 3.76
    styrene 0.59
    dioctyl adipate 4.17
    dimethyl sulfate 12.27
    ethyl butyrate 2.38
    methyl lactate 7.37
    butyl lactate 6.44
    diethyl carbonate 1.77
    propanediol butyl ether 12.33
    triethyl orthoformate 3.26
    p-tert-butyltoluene 0.5
    methyl 4-tert-butylbenzoate 8.88
    morpholine 20.56
    tert-butylamine 0.58
    n-dodecanol 0.59
    dimethoxymethane 14.52
    ethylene carbonate 4.3
    cyrene 19.01
    2-ethoxyethyl acetate 10.55
    2-ethylhexyl acetate 2.54
    1,2,4-trichlorobenzene 3.68
    4-methylpyridine 7.06
    dibutyl ether 1.55
    2,6-dimethyl-4-heptanol 0.75
    DEF 5.8
    dimethyl isosorbide 34.99
    tetrachloroethylene 4.35
    eugenol 9.75
    triacetin 10.55
    span 80 11.23
    1,4-butanediol 1.68
    1,1-dichloroethane 1.99
    2-methyl-1-pentanol 1.97
    methyl formate 6.11
    2-methyl-1-butanol 1.69
    n-decane 0.04
    butyronitrile 1.25
    3,7-dimethyl-1-octanol 1.39
    1-chlorooctane 0.35
    1-chlorotetradecane 0.16
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.04
    cyclooctane 0.01
    cyclopentanol 3.57
    tetrahydropyran 5.05
    tert-amyl methyl ether 1.46
    2,5,8-trioxanonane 26.44
    1-hexene 0.2
    2-isopropoxyethanol 7.26
    2,2,2-trifluoroethanol 2.44
    methyl butyrate 3.61

    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