Garciduol A

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  • Identifiers

    CAS number
    176257-85-5

    Molecular formula
    C27H18O9

    SMILES
    COC1=C(C(=C(C(=C1)O)C(=O)C2=CC=CC=C2)O)C3=CC(=C4C(=C3O)C(=O)C5=C(O4)C(=CC=C5)O)O

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  • Odor profile

    Fragrance
    Odorless 54.33%
    Phenolic 49.93%
    Burnt 30.49%
    Fruity 25.83%
    Spicy 25.77%
    Balsamic 25.71%
    Smoky 22.88%
    Bitter 22.24%
    Medicinal 22.19%
    Dry 21.9%

     

    Flavor
    Bitter 96.96%
    Odorless 27.35%
    Bland 21.98%
    Sweet-like 19.84%
    Cedarleaf 19.49%
    Lovage 18.95%
    Nitrile 18.86%
    Very strong 18.81%
    Parsley 18.55%
    Indole 18.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    9.16 (weak base)

    Molecular weight
    486.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1659°C

    Flash point

    • 312.24 ˚C est.

  • Synonyms

    • Garciduol A
    • CHEBI:169872
    • DTXSID701139390
    • 2-(3-Benzoyl-2,4-dihydroxy-6-methoxyphenyl)-1,4,5-trihydroxy-9H-xanthen-9-one
    • 2-(3-benzoyl-2,4-dihydroxy-6-methoxyphenyl)-1,4,5-trihydroxyxanthen-9-one
    • 176257-85-5
    • 176257-85-5

  • Applications

    Garciduol A (CAS 176257-85-5) is primarily considered as an intermediate or precursor in organic synthesis, and may be used as a potential antioxidant additive in cosmetics and personal care; it has also been investigated as a stabilizer for polymers and plastics, and could be evaluated as an additive for coatings and inks to improve chemical stability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.44
    methanol 5.66
    isopropanol 3.85
    water 0.01
    ethyl acetate 4.25
    n-propanol 6.72
    acetone 7.98
    n-butanol 3.75
    acetonitrile 1.57
    DMF 34.28
    toluene 0.88
    isobutanol 2.98
    1,4-dioxane 11.92
    methyl acetate 6.33
    THF 43.12
    2-butanone 12.79
    n-pentanol 2.37
    sec-butanol 4.29
    n-hexane 0.05
    ethylene glycol 5.46
    NMP 38.17
    cyclohexane 0.09
    DMSO 91.97
    n-butyl acetate 1.97
    n-octanol 1.51
    chloroform 1.3
    n-propyl acetate 2.37
    acetic acid 10.3
    dichloromethane 1.75
    cyclohexanone 14.9
    propylene glycol 4.73
    isopropyl acetate 2.3
    DMAc 45.44
    2-ethoxyethanol 10.17
    isopentanol 2.05
    n-heptane 0.06
    ethyl formate 3.72
    1,2-dichloroethane 2.16
    n-hexanol 1.75
    2-methoxyethanol 25.06
    isobutyl acetate 0.78
    tetrachloromethane 0.24
    n-pentyl acetate 2.26
    transcutol 6.68
    n-heptanol 1.59
    ethylbenzene 0.36
    MIBK 1.93
    2-propoxyethanol 10.82
    tert-butanol 2.37
    MTBE 1.28
    2-butoxyethanol 5.43
    propionic acid 7.12
    o-xylene 0.54
    formic acid 8.51
    diethyl ether 2.62
    m-xylene 0.39
    p-xylene 0.38
    chlorobenzene 0.49
    dimethyl carbonate 5.68
    n-octane 0.05
    formamide 13.53
    cyclopentanone 28.04
    2-pentanone 6.1
    anisole 1.21
    cyclopentyl methyl ether 5.31
    gamma-butyrolactone 26.23
    1-methoxy-2-propanol 14.43
    pyridine 10.01
    3-pentanone 4.9
    furfural 11.3
    n-dodecane 0.05
    diethylene glycol 10.06
    diisopropyl ether 0.3
    tert-amyl alcohol 2.9
    acetylacetone 6.06
    n-hexadecane 0.06
    acetophenone 2.22
    methyl propionate 7.79
    isopentyl acetate 1.33
    trichloroethylene 3.66
    n-nonanol 1.66
    cyclohexanol 3.66
    benzyl alcohol 2.3
    2-ethylhexanol 0.82
    isooctanol 1.0
    dipropyl ether 1.48
    1,2-dichlorobenzene 0.4
    ethyl lactate 2.78
    propylene carbonate 5.28
    n-methylformamide 17.04
    2-pentanol 1.84
    n-pentane 0.06
    1-propoxy-2-propanol 5.76
    1-methoxy-2-propyl acetate 4.32
    2-(2-methoxypropoxy) propanol 4.18
    mesitylene 0.16
    ε-caprolactone 11.52
    p-cymene 0.25
    epichlorohydrin 18.94
    1,1,1-trichloroethane 0.65
    2-aminoethanol 7.47
    morpholine-4-carbaldehyde 26.12
    sulfolane 44.38
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 10.31
    n-hexyl acetate 2.47
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.58
    sec-butyl acetate 1.24
    tert-butyl acetate 1.84
    decalin 0.04
    glycerin 12.85
    diglyme 8.62
    acrylic acid 7.95
    isopropyl myristate 0.96
    n-butyric acid 5.82
    acetyl acetate 1.83
    di(2-ethylhexyl) phthalate 1.08
    ethyl propionate 2.68
    nitromethane 17.61
    1,2-diethoxyethane 2.4
    benzonitrile 1.37
    trioctyl phosphate 1.23
    1-bromopropane 1.18
    gamma-valerolactone 38.06
    n-decanol 1.16
    triethyl phosphate 1.09
    4-methyl-2-pentanol 0.68
    propionitrile 2.9
    vinylene carbonate 4.41
    1,1,2-trichlorotrifluoroethane 18.67
    DMS 2.69
    cumene 0.18
    2-octanol 1.06
    2-hexanone 3.43
    octyl acetate 1.62
    limonene 0.43
    1,2-dimethoxyethane 11.88
    ethyl orthosilicate 0.9
    tributyl phosphate 1.09
    diacetone alcohol 5.57
    N,N-dimethylaniline 0.92
    acrylonitrile 4.7
    aniline 2.51
    1,3-propanediol 9.86
    bromobenzene 0.31
    dibromomethane 0.99
    1,1,2,2-tetrachloroethane 3.5
    2-methyl-cyclohexyl acetate 1.3
    tetrabutyl urea 2.08
    diisobutyl methanol 0.39
    2-phenylethanol 2.09
    styrene 0.37
    dioctyl adipate 1.67
    dimethyl sulfate 11.59
    ethyl butyrate 1.6
    methyl lactate 9.29
    butyl lactate 2.71
    diethyl carbonate 0.98
    propanediol butyl ether 4.3
    triethyl orthoformate 1.46
    p-tert-butyltoluene 0.22
    methyl 4-tert-butylbenzoate 2.41
    morpholine 22.14
    tert-butylamine 0.68
    n-dodecanol 0.81
    dimethoxymethane 17.08
    ethylene carbonate 4.05
    cyrene 6.25
    2-ethoxyethyl acetate 3.54
    2-ethylhexyl acetate 1.07
    1,2,4-trichlorobenzene 0.81
    4-methylpyridine 4.87
    dibutyl ether 1.1
    2,6-dimethyl-4-heptanol 0.39
    DEF 10.27
    dimethyl isosorbide 5.6
    tetrachloroethylene 2.41
    eugenol 2.84
    triacetin 2.68
    span 80 3.71
    1,4-butanediol 2.95
    1,1-dichloroethane 1.08
    2-methyl-1-pentanol 1.48
    methyl formate 9.72
    2-methyl-1-butanol 2.7
    n-decane 0.1
    butyronitrile 2.0
    3,7-dimethyl-1-octanol 0.83
    1-chlorooctane 0.48
    1-chlorotetradecane 0.19
    n-nonane 0.07
    undecane 0.07
    tert-butylcyclohexane 0.02
    cyclooctane 0.04
    cyclopentanol 6.51
    tetrahydropyran 8.28
    tert-amyl methyl ether 1.58
    2,5,8-trioxanonane 6.72
    1-hexene 0.32
    2-isopropoxyethanol 4.47
    2,2,2-trifluoroethanol 4.29
    methyl butyrate 3.55

    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