2-(3,4-Dihydroxyphenyl)-3-((O-beta-D-glucopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-4H-1-benzopyran-4-one

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  • Identifiers

    CAS number
    61474-16-6

    Molecular formula
    C33H40O22

    SMILES
    C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 81.62%
    Vanilla 22.98%
    Sweet 22.13%
    Savory 20.59%
    Phenolic 19.14%
    Milky 18.83%
    Burnt 17.69%
    Smoky 16.55%
    Bitter 16.34%
    Caramellic 14.76%

     

    Flavor
    Bitter 65.68%
    Odorless 41.26%
    Bland 33.25%
    Sweet-like 30.4%
    Very mild 21.89%
    Very slight 19.9%
    Cedarleaf 19.69%
    Eugenol 19.32%
    Sweet 19.29%
    Cauliflower 19.26%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -3.9

    pKa est.
    7.26 (neutral)

    Molecular weight
    788.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    5925°C

    Flash point

    • 309.83 ˚C est.

  • Synonyms

    • DTXSID101101090
    • 61474-16-6
    • RefChem:1060986
    • DTXCID401532791
    • 2-(3,4-Dihydroxyphenyl)-3-((O-beta-D-glucopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
    • Moracetin
    • quercetin-3-gentiotrioside
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
    • Quercetin 3-gentiotrioside
    • Quercetin 3-triglucoside
    • quercetin 3-beta-gentiotrioside
    • SCHEMBL29366367
    • CHEBI:136780
    • quercetin beta-D-glucosyl-(1->6)-beta-D-glucosyl-(1->6)-beta-D-glucoside
    • quercetin beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
    • 2-(3,4-Dihydroxyphenyl)-3-[(O-I(2)-D-glucopyranosyl-(1a6)-O-I(2)-D-glucopyranosyl-(1a6)-I(2)-D-glucopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl beta-D-glucosyl-(1->6)-beta-D-glucosyl-(1->6)-beta-D-glucoside
    • 61474-16-6

  • Applications

    2-(3,4-Dihydroxyphenyl)-3-((O-beta-D-glucopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-4H-1-benzopyran-4-one (CAS 61474-16-6) is a natural glycosylated flavonoid that serves as a source of polyphenol glycosides with practical relevance across several industries. In cosmetics/personal care, it can act as an antioxidant and skin-conditioning ingredient; in food processing and nutraceuticals, it is evaluated for antioxidant activity and potential nutraceutical applications; in pharmaceutical research and synthesis, it can serve as an intermediate; in polymers and plastics, it may be used as an antioxidant stabilizer and UV absorber in polymer formulations; in coatings and inks, it can function as a natural pigment or colorant.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.15
    methanol 8.51
    isopropanol 0.98
    water 0.15
    ethyl acetate 0.13
    n-propanol 1.94
    acetone 0.42
    n-butanol 0.8
    acetonitrile 0.13
    DMF 11.55
    toluene 0.04
    isobutanol 0.44
    1,4-dioxane 3.22
    methyl acetate 0.34
    THF 4.57
    2-butanone 0.57
    n-pentanol 0.36
    sec-butanol 0.74
    n-hexane 0.0
    ethylene glycol 8.6
    NMP 11.89
    cyclohexane 0.01
    DMSO 16.17
    n-butyl acetate 0.07
    n-octanol 0.28
    chloroform 0.05
    n-propyl acetate 0.08
    acetic acid 4.27
    dichloromethane 0.09
    cyclohexanone 0.63
    propylene glycol 9.28
    isopropyl acetate 0.06
    DMAc 9.4
    2-ethoxyethanol 5.48
    isopentanol 0.24
    n-heptane 0.01
    ethyl formate 0.36
    1,2-dichloroethane 0.09
    n-hexanol 0.17
    2-methoxyethanol 18.85
    isobutyl acetate 0.03
    tetrachloromethane 0.01
    n-pentyl acetate 0.24
    transcutol 7.2
    n-heptanol 0.33
    ethylbenzene 0.01
    MIBK 0.07
    2-propoxyethanol 2.84
    tert-butanol 0.25
    MTBE 0.1
    2-butoxyethanol 2.66
    propionic acid 1.33
    o-xylene 0.03
    formic acid 14.13
    diethyl ether 0.25
    m-xylene 0.02
    p-xylene 0.01
    chlorobenzene 0.01
    dimethyl carbonate 0.51
    n-octane 0.01
    formamide 10.34
    cyclopentanone 1.49
    2-pentanone 0.24
    anisole 0.07
    cyclopentyl methyl ether 0.44
    gamma-butyrolactone 2.07
    1-methoxy-2-propanol 7.65
    pyridine 0.89
    3-pentanone 0.19
    furfural 2.06
    n-dodecane 0.0
    diethylene glycol 5.59
    diisopropyl ether 0.02
    tert-amyl alcohol 0.28
    acetylacetone 0.29
    n-hexadecane 0.01
    acetophenone 0.1
    methyl propionate 0.41
    isopentyl acetate 0.05
    trichloroethylene 0.12
    n-nonanol 0.28
    cyclohexanol 0.35
    benzyl alcohol 0.25
    2-ethylhexanol 0.06
    isooctanol 0.16
    dipropyl ether 0.14
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.37
    propylene carbonate 0.35
    n-methylformamide 5.91
    2-pentanol 0.25
    n-pentane 0.01
    1-propoxy-2-propanol 1.42
    1-methoxy-2-propyl acetate 0.34
    2-(2-methoxypropoxy) propanol 1.43
    mesitylene 0.01
    ε-caprolactone 0.86
    p-cymene 0.01
    epichlorohydrin 1.74
    1,1,1-trichloroethane 0.01
    2-aminoethanol 8.05
    morpholine-4-carbaldehyde 13.32
    sulfolane 5.34
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.87
    n-hexyl acetate 0.25
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.89
    sec-butyl acetate 0.04
    tert-butyl acetate 0.06
    decalin 0.0
    glycerin 22.14
    diglyme 4.53
    acrylic acid 2.12
    isopropyl myristate 0.05
    n-butyric acid 0.67
    acetyl acetate 0.06
    di(2-ethylhexyl) phthalate 0.11
    ethyl propionate 0.07
    nitromethane 3.1
    1,2-diethoxyethane 0.51
    benzonitrile 0.06
    trioctyl phosphate 0.11
    1-bromopropane 0.04
    gamma-valerolactone 7.6
    n-decanol 0.16
    triethyl phosphate 0.05
    4-methyl-2-pentanol 0.06
    propionitrile 0.14
    vinylene carbonate 0.36
    1,1,2-trichlorotrifluoroethane 4.37
    DMS 0.19
    cumene 0.01
    2-octanol 0.17
    2-hexanone 0.11
    octyl acetate 0.14
    limonene 0.02
    1,2-dimethoxyethane 2.72
    ethyl orthosilicate 0.05
    tributyl phosphate 0.07
    diacetone alcohol 0.57
    N,N-dimethylaniline 0.07
    acrylonitrile 0.28
    aniline 0.2
    1,3-propanediol 7.3
    bromobenzene 0.01
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.13
    2-methyl-cyclohexyl acetate 0.05
    tetrabutyl urea 0.19
    diisobutyl methanol 0.03
    2-phenylethanol 0.13
    styrene 0.01
    dioctyl adipate 0.14
    dimethyl sulfate 1.16
    ethyl butyrate 0.07
    methyl lactate 2.08
    butyl lactate 0.63
    diethyl carbonate 0.04
    propanediol butyl ether 3.86
    triethyl orthoformate 0.11
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.35
    morpholine 6.8
    tert-butylamine 0.06
    n-dodecanol 0.09
    dimethoxymethane 4.16
    ethylene carbonate 0.25
    cyrene 2.01
    2-ethoxyethyl acetate 0.68
    2-ethylhexyl acetate 0.04
    1,2,4-trichlorobenzene 0.02
    4-methylpyridine 0.29
    dibutyl ether 0.11
    2,6-dimethyl-4-heptanol 0.03
    DEF 0.94
    dimethyl isosorbide 1.25
    tetrachloroethylene 0.1
    eugenol 0.52
    triacetin 0.45
    span 80 1.68
    1,4-butanediol 1.9
    1,1-dichloroethane 0.03
    2-methyl-1-pentanol 0.14
    methyl formate 2.96
    2-methyl-1-butanol 0.34
    n-decane 0.01
    butyronitrile 0.1
    3,7-dimethyl-1-octanol 0.08
    1-chlorooctane 0.04
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.88
    tetrahydropyran 0.79
    tert-amyl methyl ether 0.12
    2,5,8-trioxanonane 2.9
    1-hexene 0.01
    2-isopropoxyethanol 1.37
    2,2,2-trifluoroethanol 1.46
    methyl butyrate 0.13

    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