(2R,3R)-6-(((2R,3R)-5,7-Dihydroxy-3-((3,4,5-trihydroxybenzoyl)oxy)-2-(3,4,5-trihydroxyphenyl)chroman-8-yl)methyl)-5-hydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3,7-diyl bis(3,4,5-trihydroxybenzoate)

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  • Identifiers

    CAS number
    126715-88-6

    Molecular formula
    C52H40O26

    SMILES
    C1[C@H]([C@H](OC2=C1C(=CC(=C2CC3=C(C=C4C(=C3O)C[C@H]([C@H](O4)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)C8=CC(=C(C(=C8)O)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 78.02%
    Phenolic 38.5%
    Burnt 24.65%
    Balsamic 19.5%
    Smoky 17.97%
    Spicy 16.38%
    Savory 16.01%
    Medicinal 14.0%
    Vanilla 13.22%
    Bitter 12.85%

     

    Flavor
    Bitter 93.86%
    Odorless 34.49%
    Bland 33.45%
    Sweet-like 23.32%
    Cedarleaf 19.83%
    Parsley 18.87%
    Eugenol 18.68%
    Lovage 18.65%
    Nitrile 18.56%
    Rotten 18.27%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    9.14 (weak base)

    Molecular weight
    1080.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    7136°C

    Flash point

    • 288.46 ˚C est.

  • Synonyms

    • (2R,3R)-6-(((2R,3R)-5,7-Dihydroxy-3-((3,4,5-trihydroxybenzoyl)oxy)-2-(3,4,5-trihydroxyphenyl)chroman-8-yl)methyl)-5-hydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3,7-diyl bis(3,4,5-trihydroxybenzoate)
    • 126715-88-6
    • 126715-88-6

  • Applications

    Chemical name: (2R,3R)-6-(((2R,3R)-5,7-Dihydroxy-3-((3,4,5-trihydroxybenzoyl)oxy)-2-(3,4,5-trihydroxyphenyl)chroman-8-yl)methyl)-5-hydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3,7-diyl bis(3,4,5-trihydroxybenzoate); CAS 126715-88-6 is a polyphenolic, multi-galloyl ester with multiple hydroxy groups, commonly evaluated as an antioxidant and stabilizer for polymers, plastics, coatings, and related formulations; it may serve as a processing stabilizer and crosslinking-type additive in adhesives and coatings, and can be used where metal chelation is advantageous; in cosmetics/personal care, it can function as an antioxidant ingredient and formulation stabilizer; in coatings and inks, it can act as a color-stabilizing and antioxidant additive; in pharmaceutical research, it may be explored as a synthetic intermediate or scaffold for polyphenolic compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.13
    methanol 0.27
    isopropanol 0.05
    water 0.02
    ethyl acetate 0.2
    n-propanol 0.11
    acetone 0.16
    n-butanol 0.06
    acetonitrile 0.07
    DMF 11.23
    toluene 0.02
    isobutanol 0.04
    1,4-dioxane 1.41
    methyl acetate 0.39
    THF 1.57
    2-butanone 0.24
    n-pentanol 0.02
    sec-butanol 0.06
    n-hexane 0.0
    ethylene glycol 0.82
    NMP 9.4
    cyclohexane 0.0
    DMSO 4.19
    n-butyl acetate 0.06
    n-octanol 0.07
    chloroform 0.07
    n-propyl acetate 0.07
    acetic acid 1.28
    dichloromethane 0.09
    cyclohexanone 0.17
    propylene glycol 1.05
    isopropyl acetate 0.1
    DMAc 11.01
    2-ethoxyethanol 2.72
    isopentanol 0.03
    n-heptane 0.0
    ethyl formate 0.26
    1,2-dichloroethane 0.05
    n-hexanol 0.01
    2-methoxyethanol 10.69
    isobutyl acetate 0.02
    tetrachloromethane 0.01
    n-pentyl acetate 0.14
    transcutol 8.44
    n-heptanol 0.06
    ethylbenzene 0.01
    MIBK 0.04
    2-propoxyethanol 1.8
    tert-butanol 0.04
    MTBE 0.06
    2-butoxyethanol 1.84
    propionic acid 0.43
    o-xylene 0.02
    formic acid 3.28
    diethyl ether 0.08
    m-xylene 0.01
    p-xylene 0.01
    chlorobenzene 0.01
    dimethyl carbonate 1.32
    n-octane 0.0
    formamide 3.97
    cyclopentanone 0.64
    2-pentanone 0.12
    anisole 0.12
    cyclopentyl methyl ether 0.21
    gamma-butyrolactone 2.02
    1-methoxy-2-propanol 5.54
    pyridine 0.47
    3-pentanone 0.12
    furfural 3.21
    n-dodecane 0.0
    diethylene glycol 2.9
    diisopropyl ether 0.01
    tert-amyl alcohol 0.06
    acetylacetone 0.47
    n-hexadecane 0.0
    acetophenone 0.12
    methyl propionate 0.58
    isopentyl acetate 0.04
    trichloroethylene 0.19
    n-nonanol 0.09
    cyclohexanol 0.04
    benzyl alcohol 0.1
    2-ethylhexanol 0.01
    isooctanol 0.04
    dipropyl ether 0.1
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.53
    propylene carbonate 0.43
    n-methylformamide 2.98
    2-pentanol 0.03
    n-pentane 0.0
    1-propoxy-2-propanol 1.26
    1-methoxy-2-propyl acetate 0.8
    2-(2-methoxypropoxy) propanol 1.95
    mesitylene 0.01
    ε-caprolactone 0.43
    p-cymene 0.01
    epichlorohydrin 1.58
    1,1,1-trichloroethane 0.02
    2-aminoethanol 0.98
    morpholine-4-carbaldehyde 20.15
    sulfolane 4.33
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.26
    n-hexyl acetate 0.17
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.96
    sec-butyl acetate 0.04
    tert-butyl acetate 0.13
    decalin 0.0
    glycerin 10.03
    diglyme 8.21
    acrylic acid 0.97
    isopropyl myristate 0.05
    n-butyric acid 0.31
    acetyl acetate 0.17
    di(2-ethylhexyl) phthalate 0.08
    ethyl propionate 0.15
    nitromethane 4.5
    1,2-diethoxyethane 0.47
    benzonitrile 0.04
    trioctyl phosphate 0.06
    1-bromopropane 0.01
    gamma-valerolactone 7.78
    n-decanol 0.05
    triethyl phosphate 0.13
    4-methyl-2-pentanol 0.01
    propionitrile 0.06
    vinylene carbonate 0.52
    1,1,2-trichlorotrifluoroethane 5.71
    DMS 0.36
    cumene 0.0
    2-octanol 0.04
    2-hexanone 0.04
    octyl acetate 0.1
    limonene 0.01
    1,2-dimethoxyethane 3.74
    ethyl orthosilicate 0.13
    tributyl phosphate 0.05
    diacetone alcohol 0.54
    N,N-dimethylaniline 0.11
    acrylonitrile 0.19
    aniline 0.09
    1,3-propanediol 1.01
    bromobenzene 0.01
    dibromomethane 0.02
    1,1,2,2-tetrachloroethane 0.17
    2-methyl-cyclohexyl acetate 0.05
    tetrabutyl urea 0.15
    diisobutyl methanol 0.01
    2-phenylethanol 0.05
    styrene 0.01
    dioctyl adipate 0.15
    dimethyl sulfate 4.03
    ethyl butyrate 0.12
    methyl lactate 3.09
    butyl lactate 0.51
    diethyl carbonate 0.09
    propanediol butyl ether 2.26
    triethyl orthoformate 0.27
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.59
    morpholine 2.29
    tert-butylamine 0.01
    n-dodecanol 0.03
    dimethoxymethane 5.01
    ethylene carbonate 0.26
    cyrene 1.96
    2-ethoxyethyl acetate 0.74
    2-ethylhexyl acetate 0.03
    1,2,4-trichlorobenzene 0.04
    4-methylpyridine 0.19
    dibutyl ether 0.07
    2,6-dimethyl-4-heptanol 0.01
    DEF 0.87
    dimethyl isosorbide 2.44
    tetrachloroethylene 0.09
    eugenol 0.78
    triacetin 0.9
    span 80 1.33
    1,4-butanediol 0.17
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 0.01
    methyl formate 2.12
    2-methyl-1-butanol 0.04
    n-decane 0.0
    butyronitrile 0.03
    3,7-dimethyl-1-octanol 0.03
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.09
    tetrahydropyran 0.15
    tert-amyl methyl ether 0.09
    2,5,8-trioxanonane 4.96
    1-hexene 0.0
    2-isopropoxyethanol 0.72
    2,2,2-trifluoroethanol 0.89
    methyl butyrate 0.18

    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