2,5-Bis-O-(3,4,5-trihydroxybenzoyl)-2-C-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}-D-ribose

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  • Identifiers

    CAS number
    91573-80-7

    Molecular formula
    C27H24O18

    SMILES
    C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@H]([C@H]([C@](COC(=O)C2=CC(=C(C(=C2)O)O)O)(C=O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 83.66%
    Balsamic 18.99%
    Savory 18.26%
    Milky 17.45%
    Phenolic 17.07%
    Burnt 16.45%
    Clean 15.63%
    Bitter 14.24%
    Vanilla 13.44%
    Cooling 13.43%

     

    Flavor
    Bitter 79.6%
    Odorless 50.42%
    Bland 40.94%
    Very mild 27.85%
    Sweet-like 25.35%
    Mild 23.53%
    Cedarleaf 18.67%
    Parsley 18.59%
    Heather 18.39%
    Nitrile 18.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    6.67 (neutral)

    Molecular weight
    636.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3379°C

    Flash point

    • 308.39 ˚C est.

  • Synonyms

    • DTXSID201318650
    • 2,5-Bis-O-(3,4,5-trihydroxybenzoyl)-2-C-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}-D-ribose
    • 91573-80-7
    • 91573-80-7

  • Applications

    2,5-Bis-O-(3,4,5-trihydroxybenzoyl)-2-C-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}-D-ribose (CAS 91573-80-7) is a polyphenolic glycoside with multiple phenolic hydroxyl groups that is considered a potential precursor and additive for a range of industrial applications. It may be evaluated or used as an antioxidant and stabilizer in cosmetics and personal care formulations; as a polyphenol crosslinker or antioxidant stabilizer for polymers and plastics; as an organic colorant, UV stabilizer, or crosslinking agent in coatings and inks; as an antioxidant or stabilizing additive in cleaning products and household formulations; and as a precursor or research reagent for the synthesis of complex polyphenols in pharmaceutical contexts. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.56
    methanol 14.09
    isopropanol 9.25
    water 0.79
    ethyl acetate 8.0
    n-propanol 10.66
    acetone 21.9
    n-butanol 4.41
    acetonitrile 5.27
    DMF 190.08
    toluene 0.84
    isobutanol 3.36
    1,4-dioxane 40.02
    methyl acetate 15.98
    THF 102.31
    2-butanone 14.99
    n-pentanol 2.17
    sec-butanol 7.21
    n-hexane 0.05
    ethylene glycol 34.87
    NMP 114.03
    cyclohexane 0.14
    DMSO 296.26
    n-butyl acetate 1.13
    n-octanol 2.07
    chloroform 1.46
    n-propyl acetate 2.27
    acetic acid 59.1
    dichloromethane 1.97
    cyclohexanone 7.18
    propylene glycol 42.68
    isopropyl acetate 3.46
    DMAc 169.11
    2-ethoxyethanol 54.26
    isopentanol 1.64
    n-heptane 0.13
    ethyl formate 5.64
    1,2-dichloroethane 1.85
    n-hexanol 0.83
    2-methoxyethanol 151.63
    isobutyl acetate 0.48
    tetrachloromethane 0.19
    n-pentyl acetate 1.95
    transcutol 39.27
    n-heptanol 1.82
    ethylbenzene 0.23
    MIBK 1.54
    2-propoxyethanol 20.42
    tert-butanol 6.22
    MTBE 4.42
    2-butoxyethanol 12.81
    propionic acid 17.5
    o-xylene 0.54
    formic acid 62.54
    diethyl ether 6.42
    m-xylene 0.34
    p-xylene 0.22
    chlorobenzene 0.24
    dimethyl carbonate 19.54
    n-octane 0.09
    formamide 104.19
    cyclopentanone 30.07
    2-pentanone 6.65
    anisole 2.48
    cyclopentyl methyl ether 10.69
    gamma-butyrolactone 50.54
    1-methoxy-2-propanol 88.11
    pyridine 13.51
    3-pentanone 5.42
    furfural 23.32
    n-dodecane 0.06
    diethylene glycol 28.2
    diisopropyl ether 0.66
    tert-amyl alcohol 5.48
    acetylacetone 14.64
    n-hexadecane 0.07
    acetophenone 2.15
    methyl propionate 16.02
    isopentyl acetate 0.56
    trichloroethylene 3.62
    n-nonanol 2.06
    cyclohexanol 3.13
    benzyl alcohol 2.71
    2-ethylhexanol 0.36
    isooctanol 0.98
    dipropyl ether 2.65
    1,2-dichlorobenzene 0.19
    ethyl lactate 5.1
    propylene carbonate 6.92
    n-methylformamide 61.12
    2-pentanol 2.81
    n-pentane 0.11
    1-propoxy-2-propanol 12.05
    1-methoxy-2-propyl acetate 5.58
    2-(2-methoxypropoxy) propanol 8.66
    mesitylene 0.15
    ε-caprolactone 10.23
    p-cymene 0.13
    epichlorohydrin 33.75
    1,1,1-trichloroethane 0.56
    2-aminoethanol 37.69
    morpholine-4-carbaldehyde 118.47
    sulfolane 82.47
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 18.99
    n-hexyl acetate 2.24
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 15.31
    sec-butyl acetate 1.1
    tert-butyl acetate 3.34
    decalin 0.03
    glycerin 102.68
    diglyme 33.75
    acrylic acid 23.77
    isopropyl myristate 0.77
    n-butyric acid 8.72
    acetyl acetate 4.05
    di(2-ethylhexyl) phthalate 0.62
    ethyl propionate 3.19
    nitromethane 114.98
    1,2-diethoxyethane 6.75
    benzonitrile 0.74
    trioctyl phosphate 0.71
    1-bromopropane 0.67
    gamma-valerolactone 76.98
    n-decanol 1.32
    triethyl phosphate 0.99
    4-methyl-2-pentanol 0.64
    propionitrile 2.79
    vinylene carbonate 5.86
    1,1,2-trichlorotrifluoroethane 37.55
    DMS 3.5
    cumene 0.11
    2-octanol 1.26
    2-hexanone 1.91
    octyl acetate 1.48
    limonene 0.23
    1,2-dimethoxyethane 43.59
    ethyl orthosilicate 0.96
    tributyl phosphate 0.56
    diacetone alcohol 11.28
    N,N-dimethylaniline 1.79
    acrylonitrile 5.61
    aniline 3.1
    1,3-propanediol 32.96
    bromobenzene 0.17
    dibromomethane 0.74
    1,1,2,2-tetrachloroethane 3.41
    2-methyl-cyclohexyl acetate 0.6
    tetrabutyl urea 1.64
    diisobutyl methanol 0.27
    2-phenylethanol 1.03
    styrene 0.31
    dioctyl adipate 1.47
    dimethyl sulfate 41.71
    ethyl butyrate 1.54
    methyl lactate 30.65
    butyl lactate 3.31
    diethyl carbonate 1.02
    propanediol butyl ether 13.86
    triethyl orthoformate 2.08
    p-tert-butyltoluene 0.16
    methyl 4-tert-butylbenzoate 3.63
    morpholine 69.17
    tert-butylamine 1.62
    n-dodecanol 0.83
    dimethoxymethane 90.45
    ethylene carbonate 4.16
    cyrene 12.22
    2-ethoxyethyl acetate 6.02
    2-ethylhexyl acetate 0.42
    1,2,4-trichlorobenzene 0.47
    4-methylpyridine 5.32
    dibutyl ether 1.63
    2,6-dimethyl-4-heptanol 0.27
    DEF 18.61
    dimethyl isosorbide 9.33
    tetrachloroethylene 1.73
    eugenol 3.34
    triacetin 5.24
    span 80 7.4
    1,4-butanediol 9.75
    1,1-dichloroethane 1.01
    2-methyl-1-pentanol 0.83
    methyl formate 41.03
    2-methyl-1-butanol 2.31
    n-decane 0.14
    butyronitrile 1.59
    3,7-dimethyl-1-octanol 0.63
    1-chlorooctane 0.4
    1-chlorotetradecane 0.14
    n-nonane 0.12
    undecane 0.09
    tert-butylcyclohexane 0.02
    cyclooctane 0.07
    cyclopentanol 9.3
    tetrahydropyran 12.84
    tert-amyl methyl ether 4.33
    2,5,8-trioxanonane 20.73
    1-hexene 0.2
    2-isopropoxyethanol 16.32
    2,2,2-trifluoroethanol 22.07
    methyl butyrate 3.61

    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