Glucogallin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    58511-73-2

    Molecular formula
    C13H16O10

    SMILES
    CO[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 82.65%
    Phenolic 24.61%
    Vanilla 23.18%
    Milky 20.08%
    Burnt 18.97%
    Savory 18.32%
    Balsamic 17.42%
    Smoky 17.32%
    Bitter 15.59%
    Clean 14.47%

     

    Flavor
    Bitter 70.38%
    Odorless 42.18%
    Bland 34.88%
    Sweet-like 28.32%
    Very mild 25.4%
    Eugenol 20.38%
    Mild 20.34%
    Cedarleaf 19.97%
    Parsley 19.75%
    Very slight 19.69%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.3

    pKa est.
    6.45 (neutral)

    Molecular weight
    332.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1411°C

    Flash point

    • 243.48 ˚C est.

  • Synonyms

    • Glucogallin
    • 58511-73-2
    • 1-O-Galloylglucose
    • [(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl] 3,4,5-trihydroxybenzoate
    • DTXSID901029515
    • ((3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl) 3,4,5-trihydroxybenzoate
    • RefChem:922277
    • DTXCID201514751
    • Galloylglucose
    • SCHEMBL29363307
    • CHEBI:228307
    • D-Glucose, 1-(3,4,5-trihydroxybenzoate)
    • 58511-73-2

  • Applications

    Glucogallin (CAS 58511-73-2) serves as an intermediate in the production of hydrolyzable tannins (ellagitannins) and related polyphenolic materials; it can be hydrolyzed to gallic acid, a common building block for flavors, fragrances, and polymer additives; it is also evaluated as a natural antioxidant and stabilizer in cosmetics and personal care formulations; it may function as a stabilizer or antioxidant in coatings, inks, and other polymer systems; and it is of interest as a precursor for phenolic esters and other functional materials in research and industrial development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 46.3
    methanol 70.63
    isopropanol 21.95
    water 27.59
    ethyl acetate 3.47
    n-propanol 22.96
    acetone 11.53
    n-butanol 10.92
    acetonitrile 3.83
    DMF 180.12
    toluene 0.81
    isobutanol 5.85
    1,4-dioxane 21.27
    methyl acetate 4.88
    THF 36.6
    2-butanone 6.11
    n-pentanol 3.35
    sec-butanol 11.46
    n-hexane 0.15
    ethylene glycol 213.72
    NMP 106.5
    cyclohexane 0.81
    DMSO 624.07
    n-butyl acetate 0.75
    n-octanol 2.86
    chloroform 0.18
    n-propyl acetate 1.07
    acetic acid 78.99
    dichloromethane 0.25
    cyclohexanone 6.36
    propylene glycol 123.95
    isopropyl acetate 1.87
    DMAc 147.7
    2-ethoxyethanol 100.59
    isopentanol 4.97
    n-heptane 0.68
    ethyl formate 4.39
    1,2-dichloroethane 0.59
    n-hexanol 2.92
    2-methoxyethanol 298.88
    isobutyl acetate 0.26
    tetrachloromethane 0.14
    n-pentyl acetate 1.12
    transcutol 45.86
    n-heptanol 3.47
    ethylbenzene 0.33
    MIBK 2.14
    2-propoxyethanol 29.56
    tert-butanol 19.29
    MTBE 2.79
    2-butoxyethanol 14.85
    propionic acid 15.48
    o-xylene 1.01
    formic acid 354.54
    diethyl ether 4.81
    m-xylene 0.64
    p-xylene 0.28
    chlorobenzene 0.12
    dimethyl carbonate 11.83
    n-octane 0.38
    formamide 415.28
    cyclopentanone 14.73
    2-pentanone 5.35
    anisole 1.52
    cyclopentyl methyl ether 8.58
    gamma-butyrolactone 21.94
    1-methoxy-2-propanol 119.73
    pyridine 6.12
    3-pentanone 3.74
    furfural 17.17
    n-dodecane 0.21
    diethylene glycol 87.47
    diisopropyl ether 0.97
    tert-amyl alcohol 10.89
    acetylacetone 9.38
    n-hexadecane 0.23
    acetophenone 2.0
    methyl propionate 7.75
    isopentyl acetate 0.58
    trichloroethylene 0.63
    n-nonanol 2.95
    cyclohexanol 9.19
    benzyl alcohol 3.58
    2-ethylhexanol 1.21
    isooctanol 1.96
    dipropyl ether 3.42
    1,2-dichlorobenzene 0.14
    ethyl lactate 6.45
    propylene carbonate 4.16
    n-methylformamide 95.56
    2-pentanol 6.08
    n-pentane 0.41
    1-propoxy-2-propanol 13.54
    1-methoxy-2-propyl acetate 4.22
    2-(2-methoxypropoxy) propanol 13.13
    mesitylene 0.45
    ε-caprolactone 7.08
    p-cymene 0.4
    epichlorohydrin 10.77
    1,1,1-trichloroethane 0.15
    2-aminoethanol 180.99
    morpholine-4-carbaldehyde 94.88
    sulfolane 65.59
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 10.31
    n-hexyl acetate 1.62
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 21.73
    sec-butyl acetate 0.59
    tert-butyl acetate 2.6
    decalin 0.13
    glycerin 296.72
    diglyme 36.37
    acrylic acid 23.38
    isopropyl myristate 0.84
    n-butyric acid 9.81
    acetyl acetate 1.89
    di(2-ethylhexyl) phthalate 1.09
    ethyl propionate 1.61
    nitromethane 80.22
    1,2-diethoxyethane 4.27
    benzonitrile 0.67
    trioctyl phosphate 1.25
    1-bromopropane 0.38
    gamma-valerolactone 41.8
    n-decanol 2.3
    triethyl phosphate 1.37
    4-methyl-2-pentanol 2.05
    propionitrile 1.98
    vinylene carbonate 3.48
    1,1,2-trichlorotrifluoroethane 36.13
    DMS 2.09
    cumene 0.22
    2-octanol 1.9
    2-hexanone 1.12
    octyl acetate 1.43
    limonene 0.75
    1,2-dimethoxyethane 39.02
    ethyl orthosilicate 1.3
    tributyl phosphate 0.9
    diacetone alcohol 18.56
    N,N-dimethylaniline 1.91
    acrylonitrile 3.87
    aniline 3.75
    1,3-propanediol 130.26
    bromobenzene 0.08
    dibromomethane 0.16
    1,1,2,2-tetrachloroethane 0.97
    2-methyl-cyclohexyl acetate 0.89
    tetrabutyl urea 2.61
    diisobutyl methanol 1.09
    2-phenylethanol 2.46
    styrene 0.28
    dioctyl adipate 1.58
    dimethyl sulfate 28.46
    ethyl butyrate 1.17
    methyl lactate 35.38
    butyl lactate 3.01
    diethyl carbonate 0.87
    propanediol butyl ether 16.4
    triethyl orthoformate 1.78
    p-tert-butyltoluene 0.46
    methyl 4-tert-butylbenzoate 4.72
    morpholine 46.78
    tert-butylamine 4.79
    n-dodecanol 1.7
    dimethoxymethane 78.34
    ethylene carbonate 2.79
    cyrene 19.57
    2-ethoxyethyl acetate 2.83
    2-ethylhexyl acetate 0.41
    1,2,4-trichlorobenzene 0.3
    4-methylpyridine 2.74
    dibutyl ether 1.51
    2,6-dimethyl-4-heptanol 1.09
    DEF 17.67
    dimethyl isosorbide 13.37
    tetrachloroethylene 0.88
    eugenol 5.74
    triacetin 3.61
    span 80 10.3
    1,4-butanediol 38.4
    1,1-dichloroethane 0.18
    2-methyl-1-pentanol 1.83
    methyl formate 43.28
    2-methyl-1-butanol 4.99
    n-decane 0.4
    butyronitrile 1.5
    3,7-dimethyl-1-octanol 1.45
    1-chlorooctane 0.58
    1-chlorotetradecane 0.28
    n-nonane 0.39
    undecane 0.28
    tert-butylcyclohexane 0.07
    cyclooctane 0.45
    cyclopentanol 14.52
    tetrahydropyran 8.46
    tert-amyl methyl ether 3.78
    2,5,8-trioxanonane 29.46
    1-hexene 0.31
    2-isopropoxyethanol 23.24
    2,2,2-trifluoroethanol 37.75
    methyl butyrate 2.1

    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