Garciduol B

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  • Identifiers

    CAS number
    176257-86-6

    Molecular formula
    C27H18O10

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 57.25%
    Phenolic 52.67%
    Burnt 30.77%
    Spicy 24.54%
    Balsamic 23.83%
    Smoky 23.42%
    Medicinal 22.6%
    Fruity 22.28%
    Dry 21.57%
    Bitter 21.15%

     

    Flavor
    Bitter 97.07%
    Odorless 28.44%
    Bland 23.24%
    Sweet-like 20.09%
    Cedarleaf 19.53%
    Nitrile 18.87%
    Very strong 18.77%
    Lovage 18.66%
    Parsley 18.53%
    Indole 18.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    9.72 (weak base)

    Molecular weight
    502.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1747°C

    Flash point

    • 337.93 ˚C est.

  • Synonyms

    • Garciduol B
    • SCHEMBL30555749
    • CHEBI:192465
    • DTXSID601124239
    • 2-[2,4-Dihydroxy-3-(3-hydroxybenzoyl)-6-methoxyphenyl]-1,4,5-trihydroxy-9H-xanthen-9-one
    • 2-[2,4-dihydroxy-3-(3-hydroxybenzoyl)-6-methoxyphenyl]-1,4,5-trihydroxyxanthen-9-one
    • 176257-86-6
    • 176257-86-6

  • Applications

    Garciduol B, CAS 176257-86-6, is primarily regarded as a synthetic intermediate in organic synthesis and is evaluated for specialty chemical development in pharmaceutical, agrochemical, and related industrial applications. It serves as a diol building block for polymers and resins and can be used as a component in coating, paint, and adhesive formulations. In the coatings/inks and adhesives sectors, Garciduol B may function as a crosslinking agent or binder to improve formulation durability and curing. It may also be considered as a precursor for research and development in pharmaceuticals and agrochemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.48
    methanol 7.74
    isopropanol 3.76
    water 0.01
    ethyl acetate 3.03
    n-propanol 7.78
    acetone 4.55
    n-butanol 4.1
    acetonitrile 0.97
    DMF 33.41
    toluene 0.32
    isobutanol 2.7
    1,4-dioxane 8.66
    methyl acetate 4.75
    THF 33.49
    2-butanone 10.15
    n-pentanol 2.11
    sec-butanol 4.25
    n-hexane 0.02
    ethylene glycol 6.38
    NMP 35.19
    cyclohexane 0.04
    DMSO 94.24
    n-butyl acetate 1.5
    n-octanol 1.26
    chloroform 0.55
    n-propyl acetate 1.71
    acetic acid 9.15
    dichloromethane 0.77
    cyclohexanone 10.21
    propylene glycol 6.02
    isopropyl acetate 1.43
    DMAc 43.19
    2-ethoxyethanol 12.38
    isopentanol 1.72
    n-heptane 0.03
    ethyl formate 3.36
    1,2-dichloroethane 1.02
    n-hexanol 1.31
    2-methoxyethanol 34.42
    isobutyl acetate 0.43
    tetrachloromethane 0.1
    n-pentyl acetate 1.54
    transcutol 6.35
    n-heptanol 1.34
    ethylbenzene 0.15
    MIBK 1.11
    2-propoxyethanol 10.82
    tert-butanol 1.65
    MTBE 0.78
    2-butoxyethanol 5.32
    propionic acid 6.57
    o-xylene 0.21
    formic acid 9.97
    diethyl ether 1.79
    m-xylene 0.14
    p-xylene 0.14
    chlorobenzene 0.16
    dimethyl carbonate 3.69
    n-octane 0.03
    formamide 16.38
    cyclopentanone 20.59
    2-pentanone 4.29
    anisole 0.69
    cyclopentyl methyl ether 3.08
    gamma-butyrolactone 22.38
    1-methoxy-2-propanol 16.88
    pyridine 6.76
    3-pentanone 3.07
    furfural 9.34
    n-dodecane 0.02
    diethylene glycol 10.0
    diisopropyl ether 0.15
    tert-amyl alcohol 2.41
    acetylacetone 3.57
    n-hexadecane 0.03
    acetophenone 1.23
    methyl propionate 5.99
    isopentyl acetate 0.88
    trichloroethylene 1.6
    n-nonanol 1.33
    cyclohexanol 2.62
    benzyl alcohol 1.51
    2-ethylhexanol 0.55
    isooctanol 0.73
    dipropyl ether 1.01
    1,2-dichlorobenzene 0.13
    ethyl lactate 2.19
    propylene carbonate 3.66
    n-methylformamide 18.78
    2-pentanol 1.55
    n-pentane 0.03
    1-propoxy-2-propanol 5.37
    1-methoxy-2-propyl acetate 3.14
    2-(2-methoxypropoxy) propanol 3.6
    mesitylene 0.06
    ε-caprolactone 9.6
    p-cymene 0.11
    epichlorohydrin 14.56
    1,1,1-trichloroethane 0.22
    2-aminoethanol 9.8
    morpholine-4-carbaldehyde 26.97
    sulfolane 36.38
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 7.5
    n-hexyl acetate 1.74
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 5.0
    sec-butyl acetate 0.74
    tert-butyl acetate 1.06
    decalin 0.02
    glycerin 15.11
    diglyme 7.61
    acrylic acid 6.95
    isopropyl myristate 0.56
    n-butyric acid 5.37
    acetyl acetate 0.95
    di(2-ethylhexyl) phthalate 0.68
    ethyl propionate 1.97
    nitromethane 15.36
    1,2-diethoxyethane 1.66
    benzonitrile 0.65
    trioctyl phosphate 0.81
    1-bromopropane 0.61
    gamma-valerolactone 38.0
    n-decanol 0.88
    triethyl phosphate 0.72
    4-methyl-2-pentanol 0.47
    propionitrile 2.0
    vinylene carbonate 3.06
    1,1,2-trichlorotrifluoroethane 15.25
    DMS 1.51
    cumene 0.07
    2-octanol 0.79
    2-hexanone 2.2
    octyl acetate 1.08
    limonene 0.19
    1,2-dimethoxyethane 12.37
    ethyl orthosilicate 0.6
    tributyl phosphate 0.69
    diacetone alcohol 4.13
    N,N-dimethylaniline 0.48
    acrylonitrile 3.25
    aniline 1.42
    1,3-propanediol 12.95
    bromobenzene 0.09
    dibromomethane 0.43
    1,1,2,2-tetrachloroethane 1.61
    2-methyl-cyclohexyl acetate 0.77
    tetrabutyl urea 1.43
    diisobutyl methanol 0.22
    2-phenylethanol 1.27
    styrene 0.14
    dioctyl adipate 1.07
    dimethyl sulfate 7.86
    ethyl butyrate 1.16
    methyl lactate 7.88
    butyl lactate 2.11
    diethyl carbonate 0.69
    propanediol butyl ether 3.93
    triethyl orthoformate 1.05
    p-tert-butyltoluene 0.09
    methyl 4-tert-butylbenzoate 1.46
    morpholine 20.68
    tert-butylamine 0.41
    n-dodecanol 0.55
    dimethoxymethane 15.35
    ethylene carbonate 2.72
    cyrene 5.2
    2-ethoxyethyl acetate 2.52
    2-ethylhexyl acetate 0.69
    1,2,4-trichlorobenzene 0.3
    4-methylpyridine 2.93
    dibutyl ether 0.71
    2,6-dimethyl-4-heptanol 0.22
    DEF 8.7
    dimethyl isosorbide 4.42
    tetrachloroethylene 1.11
    eugenol 1.94
    triacetin 1.7
    span 80 3.02
    1,4-butanediol 3.15
    1,1-dichloroethane 0.42
    2-methyl-1-pentanol 1.14
    methyl formate 9.13
    2-methyl-1-butanol 2.48
    n-decane 0.05
    butyronitrile 1.54
    3,7-dimethyl-1-octanol 0.52
    1-chlorooctane 0.26
    1-chlorotetradecane 0.09
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 4.97
    tetrahydropyran 5.34
    tert-amyl methyl ether 1.07
    2,5,8-trioxanonane 5.6
    1-hexene 0.17
    2-isopropoxyethanol 4.28
    2,2,2-trifluoroethanol 3.33
    methyl butyrate 2.76

    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