I(2)-D-Glucopyranose, cyclic 2,4-ester with 3-(6-carboxy-2,3,4-trihydroxyphenyl)tetrahydro-6-oxo-2H-pyran-2,4-dicarboxylic acid, 1-(3,4,5-trihydroxybenzoate)

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  • Identifiers

    CAS number
    17278-02-3

    Molecular formula
    C27H24O19

    SMILES
    C1C2C(C(OC1=O)C(=O)O)C3=C(C(=C(C=C3C(=O)OC4C(OC(C(C4O)OC2=O)OC(=O)C5=CC(=C(C(=C5)O)O)O)CO)O)O)O

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  • Odor profile

    Fragrance
    Odorless 87.31%
    Burnt 19.58%
    Savory 17.99%
    Phenolic 17.91%
    Milky 17.52%
    Bitter 14.43%
    Clean 14.43%
    Vanilla 13.75%
    Caramellic 13.74%
    Balsamic 13.68%

     

    Flavor
    Bitter 77.99%
    Odorless 38.42%
    Bland 31.79%
    Very mild 27.21%
    Sweet-like 24.5%
    Cedarleaf 19.57%
    Fenugreek 19.43%
    Lovage 19.41%
    Seedy 19.32%
    Cotton candy 19.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.2

    pKa est.
    2.65 (strong acid)

    Molecular weight
    652.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5765°C

    Flash point

    • 302.17 ˚C est.

  • Synonyms

    • DTXSID301100050
    • 17278-02-3
    • I(2)-D-Glucopyranose, cyclic 2,4-ester with 3-(6-carboxy-2,3,4-trihydroxyphenyl)tetrahydro-6-oxo-2H-pyran-2,4-dicarboxylic acid, 1-(3,4,5-trihydroxybenzoate)
    • 17278-02-3

  • Applications

    I(2)-D-Glucopyranose, cyclic 2,4-ester with 3-(6-carboxy-2,3,4-trihydroxyphenyl)tetrahydro-6-oxo-2H-pyran-2,4-dicarboxylic acid, 1-(3,4,5-trihydroxybenzoate) (CAS 17278-02-3) is a glycosylated polyphenol ester with multiple functional groups and is primarily used as a synthetic intermediate and building block for glycosylated phenolic derivatives in chemical synthesis. Real-world applications may include fragrance/odorant precursor for perfumery with controlled release; cosmetic/personal care formulation as a functional glycoside derivative; polymer and coatings chemistry as a hydrophilic scaffold or modifier for polyesters and dye/ink systems; pharmaceutical research as a precursor for glycosylated drug candidates; and formulation additives in cleaning or industrial coatings to aid stabilization and metal ion chelation, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.86
    methanol 20.34
    isopropanol 9.4
    water 1.43
    ethyl acetate 8.94
    n-propanol 9.79
    acetone 40.26
    n-butanol 3.92
    acetonitrile 8.71
    DMF 205.59
    toluene 0.77
    isobutanol 3.21
    1,4-dioxane 46.04
    methyl acetate 20.53
    THF 71.61
    2-butanone 18.92
    n-pentanol 2.3
    sec-butanol 5.28
    n-hexane 0.04
    ethylene glycol 46.69
    NMP 132.74
    cyclohexane 0.12
    DMSO 265.36
    n-butyl acetate 2.36
    n-octanol 2.57
    chloroform 1.24
    n-propyl acetate 4.08
    acetic acid 119.04
    dichloromethane 1.91
    cyclohexanone 11.7
    propylene glycol 40.64
    isopropyl acetate 4.13
    DMAc 173.88
    2-ethoxyethanol 51.03
    isopentanol 1.68
    n-heptane 0.1
    ethyl formate 10.13
    1,2-dichloroethane 2.1
    n-hexanol 1.08
    2-methoxyethanol 129.0
    isobutyl acetate 1.0
    tetrachloromethane 0.21
    n-pentyl acetate 3.54
    transcutol 45.9
    n-heptanol 2.17
    ethylbenzene 0.23
    MIBK 2.01
    2-propoxyethanol 25.33
    tert-butanol 5.88
    MTBE 2.78
    2-butoxyethanol 15.51
    propionic acid 23.73
    o-xylene 0.49
    formic acid 110.14
    diethyl ether 4.57
    m-xylene 0.34
    p-xylene 0.27
    chlorobenzene 0.36
    dimethyl carbonate 24.9
    n-octane 0.09
    formamide 127.81
    cyclopentanone 38.72
    2-pentanone 8.16
    anisole 1.93
    cyclopentyl methyl ether 6.84
    gamma-butyrolactone 63.61
    1-methoxy-2-propanol 63.64
    pyridine 14.84
    3-pentanone 6.06
    furfural 33.95
    n-dodecane 0.07
    diethylene glycol 45.34
    diisopropyl ether 0.53
    tert-amyl alcohol 3.71
    acetylacetone 22.44
    n-hexadecane 0.09
    acetophenone 2.82
    methyl propionate 16.37
    isopentyl acetate 1.26
    trichloroethylene 3.77
    n-nonanol 2.56
    cyclohexanol 2.66
    benzyl alcohol 3.32
    2-ethylhexanol 0.49
    isooctanol 1.21
    dipropyl ether 2.52
    1,2-dichlorobenzene 0.27
    ethyl lactate 7.02
    propylene carbonate 11.26
    n-methylformamide 75.42
    2-pentanol 2.0
    n-pentane 0.07
    1-propoxy-2-propanol 14.42
    1-methoxy-2-propyl acetate 8.67
    2-(2-methoxypropoxy) propanol 12.06
    mesitylene 0.17
    ε-caprolactone 14.69
    p-cymene 0.19
    epichlorohydrin 29.17
    1,1,1-trichloroethane 0.6
    2-aminoethanol 38.34
    morpholine-4-carbaldehyde 137.16
    sulfolane 87.35
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 13.79
    n-hexyl acetate 3.89
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 20.64
    sec-butyl acetate 1.61
    tert-butyl acetate 3.48
    decalin 0.03
    glycerin 105.92
    diglyme 41.32
    acrylic acid 35.83
    isopropyl myristate 1.3
    n-butyric acid 10.39
    acetyl acetate 6.77
    di(2-ethylhexyl) phthalate 1.46
    ethyl propionate 3.78
    nitromethane 180.34
    1,2-diethoxyethane 8.08
    benzonitrile 1.53
    trioctyl phosphate 1.47
    1-bromopropane 0.58
    gamma-valerolactone 105.07
    n-decanol 1.78
    triethyl phosphate 1.38
    4-methyl-2-pentanol 0.6
    propionitrile 4.14
    vinylene carbonate 10.57
    1,1,2-trichlorotrifluoroethane 43.15
    DMS 5.79
    cumene 0.12
    2-octanol 1.45
    2-hexanone 3.23
    octyl acetate 2.75
    limonene 0.29
    1,2-dimethoxyethane 45.71
    ethyl orthosilicate 1.19
    tributyl phosphate 1.19
    diacetone alcohol 13.29
    N,N-dimethylaniline 1.46
    acrylonitrile 8.88
    aniline 3.14
    1,3-propanediol 37.76
    bromobenzene 0.23
    dibromomethane 0.67
    1,1,2,2-tetrachloroethane 3.14
    2-methyl-cyclohexyl acetate 1.16
    tetrabutyl urea 3.27
    diisobutyl methanol 0.32
    2-phenylethanol 1.83
    styrene 0.31
    dioctyl adipate 2.75
    dimethyl sulfate 43.57
    ethyl butyrate 2.36
    methyl lactate 30.57
    butyl lactate 5.31
    diethyl carbonate 1.7
    propanediol butyl ether 19.56
    triethyl orthoformate 2.67
    p-tert-butyltoluene 0.19
    methyl 4-tert-butylbenzoate 4.65
    morpholine 59.08
    tert-butylamine 1.17
    n-dodecanol 1.19
    dimethoxymethane 76.51
    ethylene carbonate 8.39
    cyrene 17.35
    2-ethoxyethyl acetate 10.04
    2-ethylhexyl acetate 0.91
    1,2,4-trichlorobenzene 0.61
    4-methylpyridine 6.58
    dibutyl ether 1.86
    2,6-dimethyl-4-heptanol 0.32
    DEF 19.26
    dimethyl isosorbide 13.19
    tetrachloroethylene 1.98
    eugenol 4.93
    triacetin 8.36
    span 80 10.48
    1,4-butanediol 12.98
    1,1-dichloroethane 1.04
    2-methyl-1-pentanol 0.88
    methyl formate 64.96
    2-methyl-1-butanol 1.94
    n-decane 0.14
    butyronitrile 2.19
    3,7-dimethyl-1-octanol 0.84
    1-chlorooctane 0.46
    1-chlorotetradecane 0.19
    n-nonane 0.13
    undecane 0.1
    tert-butylcyclohexane 0.01
    cyclooctane 0.05
    cyclopentanol 7.9
    tetrahydropyran 11.0
    tert-amyl methyl ether 2.4
    2,5,8-trioxanonane 27.52
    1-hexene 0.16
    2-isopropoxyethanol 17.28
    2,2,2-trifluoroethanol 42.16
    methyl butyrate 4.87

    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