beta-D-Glucopyranoside, 4-[[[3-(6-carboxy-2,3,4-trihydroxyphenoxy)-4,5-dihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl

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  • Identifiers

    CAS number
    115356-00-8

    Molecular formula
    C27H26O18

    SMILES
    C1=C(C=C(C(=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)COC(=O)C3=CC(=C(C(=C3)OC4=C(C(=C(C=C4C(=O)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 82.48%
    Phenolic 26.14%
    Balsamic 20.32%
    Burnt 19.97%
    Savory 18.36%
    Vanilla 17.74%
    Milky 17.44%
    Smoky 15.67%
    Clean 13.94%
    Bitter 13.63%

     

    Flavor
    Bitter 75.02%
    Odorless 45.32%
    Bland 39.35%
    Sweet-like 27.09%
    Very mild 25.21%
    Mild 24.27%
    Eugenol 20.68%
    Parsley 20.08%
    Cedarleaf 19.95%
    Lovage 19.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.3

    pKa est.
    8.88 (weak base)

    Molecular weight
    638.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4981°C

    Flash point

    • 333.59 ˚C est.

  • Synonyms

    • 115356-00-8
    • 2-(5-((3,5-dihydroxy-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)methoxycarbonyl)-2,3-dihydroxyphenoxy)-3,4,5-trihydroxybenzoic acid
    • 2-[5-[[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoic acid
    • beta-D-Glucopyranoside, 4-(((3-(6-carboxy-2,3,4-trihydroxyphenoxy)-4,5-dihydroxybenzoyl)oxy)methyl)-2,6-dihydroxyphenyl
    • beta-D-Glucopyranoside, 4-[[[3-(6-carboxy-2,3,4-trihydroxyphenoxy)-4,5-dihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl
    • RefChem:329007
    • DTXSID001106378
    • I(2)-D-Glucopyranoside, 4-[[[3-(6-carboxy-2,3,4-trihydroxyphenoxy)-4,5-dihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl
    • 115356-00-8

  • Applications

    beta-D-Glucopyranoside, 4-[[[3-(6-carboxy-2,3,4-trihydroxyphenoxy)-4,5-dihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl (CAS 115356-00-8) is a glycosylated polyphenol derivative that is commonly evaluated as an intermediate or functional additive across several industries: cosmetics and personal care (contributing to formulation solubility and compatibility through the glucose moiety), coatings and inks (as a color-related intermediate and stabilizing additive), polymers and plastics (as a functional additive or linker in polymer systems), pharmaceuticals (as a synthetic intermediate for higher-value compounds), and cleaning formulations (as a glycoside-containing surfactant precursor or emulsifier). Its use is subject to local regulations and formulation limits, and specific performance claims should be validated in the intended product context.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 67.32
    methanol 53.95
    isopropanol 45.76
    water 2.39
    ethyl acetate 28.84
    n-propanol 46.41
    acetone 103.02
    n-butanol 17.57
    acetonitrile 20.1
    DMF 300.05
    toluene 1.7
    isobutanol 11.65
    1,4-dioxane 93.96
    methyl acetate 45.63
    THF 229.14
    2-butanone 55.12
    n-pentanol 7.68
    sec-butanol 24.46
    n-hexane 0.08
    ethylene glycol 119.76
    NMP 166.67
    cyclohexane 0.32
    DMSO 735.45
    n-butyl acetate 2.72
    n-octanol 5.52
    chloroform 1.89
    n-propyl acetate 5.97
    acetic acid 291.04
    dichloromethane 2.71
    cyclohexanone 24.86
    propylene glycol 144.99
    isopropyl acetate 10.98
    DMAc 263.91
    2-ethoxyethanol 142.64
    isopentanol 5.73
    n-heptane 0.23
    ethyl formate 20.02
    1,2-dichloroethane 3.76
    n-hexanol 2.83
    2-methoxyethanol 367.34
    isobutyl acetate 1.04
    tetrachloromethane 0.3
    n-pentyl acetate 5.07
    transcutol 86.48
    n-heptanol 4.81
    ethylbenzene 0.39
    MIBK 4.9
    2-propoxyethanol 49.79
    tert-butanol 23.24
    MTBE 9.47
    2-butoxyethanol 28.31
    propionic acid 57.35
    o-xylene 0.94
    formic acid 222.77
    diethyl ether 17.07
    m-xylene 0.65
    p-xylene 0.35
    chlorobenzene 0.48
    dimethyl carbonate 38.98
    n-octane 0.19
    formamide 285.67
    cyclopentanone 86.05
    2-pentanone 27.31
    anisole 3.34
    cyclopentyl methyl ether 22.56
    gamma-butyrolactone 111.59
    1-methoxy-2-propanol 211.84
    pyridine 31.68
    3-pentanone 15.95
    furfural 45.15
    n-dodecane 0.14
    diethylene glycol 74.89
    diisopropyl ether 1.49
    tert-amyl alcohol 14.83
    acetylacetone 52.7
    n-hexadecane 0.16
    acetophenone 3.81
    methyl propionate 43.94
    isopentyl acetate 1.19
    trichloroethylene 5.85
    n-nonanol 5.44
    cyclohexanol 9.6
    benzyl alcohol 6.27
    2-ethylhexanol 0.87
    isooctanol 2.31
    dipropyl ether 5.28
    1,2-dichlorobenzene 0.26
    ethyl lactate 9.9
    propylene carbonate 14.6
    n-methylformamide 149.51
    2-pentanol 9.12
    n-pentane 0.22
    1-propoxy-2-propanol 26.5
    1-methoxy-2-propyl acetate 11.01
    2-(2-methoxypropoxy) propanol 15.72
    mesitylene 0.29
    ε-caprolactone 26.36
    p-cymene 0.23
    epichlorohydrin 72.25
    1,1,1-trichloroethane 1.0
    2-aminoethanol 136.02
    morpholine-4-carbaldehyde 180.24
    sulfolane 158.01
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 44.46
    n-hexyl acetate 5.55
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 34.86
    sec-butyl acetate 2.36
    tert-butyl acetate 8.2
    decalin 0.04
    glycerin 262.99
    diglyme 59.73
    acrylic acid 67.79
    isopropyl myristate 1.67
    n-butyric acid 34.56
    acetyl acetate 12.43
    di(2-ethylhexyl) phthalate 1.36
    ethyl propionate 6.68
    nitromethane 360.83
    1,2-diethoxyethane 14.03
    benzonitrile 1.62
    trioctyl phosphate 1.72
    1-bromopropane 1.45
    gamma-valerolactone 180.11
    n-decanol 3.68
    triethyl phosphate 1.18
    4-methyl-2-pentanol 1.85
    propionitrile 8.14
    vinylene carbonate 11.21
    1,1,2-trichlorotrifluoroethane 74.15
    DMS 5.85
    cumene 0.17
    2-octanol 3.04
    2-hexanone 5.8
    octyl acetate 3.77
    limonene 0.46
    1,2-dimethoxyethane 80.85
    ethyl orthosilicate 1.17
    tributyl phosphate 1.17
    diacetone alcohol 31.78
    N,N-dimethylaniline 2.17
    acrylonitrile 14.87
    aniline 7.94
    1,3-propanediol 124.38
    bromobenzene 0.28
    dibromomethane 1.17
    1,1,2,2-tetrachloroethane 5.22
    2-methyl-cyclohexyl acetate 1.02
    tetrabutyl urea 3.41
    diisobutyl methanol 0.59
    2-phenylethanol 2.55
    styrene 0.49
    dioctyl adipate 3.12
    dimethyl sulfate 62.7
    ethyl butyrate 2.79
    methyl lactate 63.57
    butyl lactate 7.11
    diethyl carbonate 1.43
    propanediol butyl ether 34.13
    triethyl orthoformate 2.82
    p-tert-butyltoluene 0.27
    methyl 4-tert-butylbenzoate 5.89
    morpholine 162.17
    tert-butylamine 4.23
    n-dodecanol 2.32
    dimethoxymethane 170.91
    ethylene carbonate 9.88
    cyrene 23.33
    2-ethoxyethyl acetate 13.55
    2-ethylhexyl acetate 0.78
    1,2,4-trichlorobenzene 0.65
    4-methylpyridine 11.83
    dibutyl ether 3.33
    2,6-dimethyl-4-heptanol 0.59
    DEF 41.05
    dimethyl isosorbide 14.53
    tetrachloroethylene 2.98
    eugenol 5.67
    triacetin 9.0
    span 80 16.9
    1,4-butanediol 35.58
    1,1-dichloroethane 2.2
    2-methyl-1-pentanol 2.4
    methyl formate 105.29
    2-methyl-1-butanol 7.01
    n-decane 0.3
    butyronitrile 5.13
    3,7-dimethyl-1-octanol 1.54
    1-chlorooctane 0.91
    1-chlorotetradecane 0.32
    n-nonane 0.27
    undecane 0.2
    tert-butylcyclohexane 0.03
    cyclooctane 0.14
    cyclopentanol 28.82
    tetrahydropyran 36.26
    tert-amyl methyl ether 7.99
    2,5,8-trioxanonane 39.13
    1-hexene 0.36
    2-isopropoxyethanol 42.72
    2,2,2-trifluoroethanol 76.04
    methyl butyrate 8.2

    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