Quercetin 3,4'-diglucoside

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  • Identifiers

    CAS number
    29125-80-2

    Molecular formula
    C27H30O17

    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)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 81.32%
    Vanilla 25.27%
    Phenolic 22.63%
    Savory 21.07%
    Milky 20.25%
    Sweet 19.17%
    Burnt 18.63%
    Bitter 17.03%
    Smoky 16.65%
    Creamy 15.64%

     

    Flavor
    Bitter 71.66%
    Odorless 39.21%
    Bland 34.57%
    Sweet-like 29.05%
    Very mild 22.34%
    Cedarleaf 19.91%
    Eugenol 19.65%
    Very slight 19.54%
    Parsley 19.34%
    Fenugreek 18.92%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -1.4

    pKa est.
    7.91 (neutral)

    Molecular weight
    626.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5807°C

    Flash point

    • 332.98 ˚C est.

  • Synonyms

    • Quercetin 3,4'-diglucoside
    • 29125-80-2
    • DTXSID301045305
    • RefChem:1097710
    • DTXCID201527237
    • 5,7-dihydroxy-2-(3-hydroxy-4-((2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)-3-((2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one
    • QUERCETIN DIHYDRATE(RG)
    • quercetin 3,4'-O-diglucoside
    • Quercetin-3,4-di-O-glucoside
    • Quercetin 3,4'-di-O-beta-D-glucopyranoside
    • Quercetin-3,4'-diglucoside
    • quercetin-3,4'-diglycoside
    • SCHEMBL934200
    • quercetin-3,4'-O-diglucoside
    • orb1681811
    • CHEMBL1098352
    • Quercetin 3,4a(2)-diglucoside
    • SCHEMBL29869533
    • SCHEMBL30283294
    • CHEBI:131498
    • HY-N8685
    • Quercetin 3,4'-O-beta-diglucoside
    • quercetin-3,4'-di-O-beta-glucoside
    • AKOS040762259
    • FS-6824
    • quercetin 3,4'-di-O-beta-D-glucoside
    • 5,7-dihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    • DA-67060
    • FQ170347
    • CS-0148914
    • G91302
    • Q7271320
    • Quercetin 3,4 inverted exclamation marka-diglucoside
    • Quercetin 3,4'-diglucoside, >=85% (LC/MS-UV)
    • 4-[3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-hydroxyphenyl beta-D-glucopyranoside
    • 5,7-dihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
    • 29125-80-2

  • Applications

    Quercetin 3,4'-diglucoside (CAS 29125-80-2) is a flavonoid glycoside derived from quercetin and is used as a basis for flavonoid-based research and development. In cosmetics and personal care, it is considered a potential antioxidant ingredient for skin care formulations and protection against oxidation. In food processing, it is evaluated as a natural antioxidant to limit lipid oxidation and extend shelf life. In pharmaceutical and nutraceutical research, it is studied as a bioactive flavonoid glycoside and provides a basis for developing glycoside derivatives. In industrial manufacturing, it can serve as an intermediate or starting point for the synthesis of flavonoid glycoside derivatives for commercial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.85
    methanol 10.15
    isopropanol 2.43
    water 0.16
    ethyl acetate 0.21
    n-propanol 4.46
    acetone 1.22
    n-butanol 1.51
    acetonitrile 0.26
    DMF 18.87
    toluene 0.07
    isobutanol 0.91
    1,4-dioxane 5.71
    methyl acetate 0.7
    THF 10.94
    2-butanone 1.47
    n-pentanol 0.72
    sec-butanol 1.65
    n-hexane 0.01
    ethylene glycol 15.19
    NMP 20.71
    cyclohexane 0.02
    DMSO 37.97
    n-butyl acetate 0.12
    n-octanol 0.45
    chloroform 0.07
    n-propyl acetate 0.15
    acetic acid 10.34
    dichloromethane 0.12
    cyclohexanone 1.44
    propylene glycol 17.26
    isopropyl acetate 0.11
    DMAc 17.65
    2-ethoxyethanol 9.74
    isopentanol 0.42
    n-heptane 0.02
    ethyl formate 0.63
    1,2-dichloroethane 0.14
    n-hexanol 0.29
    2-methoxyethanol 31.64
    isobutyl acetate 0.05
    tetrachloromethane 0.02
    n-pentyl acetate 0.35
    transcutol 9.77
    n-heptanol 0.51
    ethylbenzene 0.02
    MIBK 0.12
    2-propoxyethanol 4.64
    tert-butanol 0.59
    MTBE 0.19
    2-butoxyethanol 3.61
    propionic acid 2.85
    o-xylene 0.04
    formic acid 22.14
    diethyl ether 0.45
    m-xylene 0.03
    p-xylene 0.02
    chlorobenzene 0.02
    dimethyl carbonate 0.76
    n-octane 0.01
    formamide 18.49
    cyclopentanone 3.67
    2-pentanone 0.51
    anisole 0.11
    cyclopentyl methyl ether 0.72
    gamma-butyrolactone 4.69
    1-methoxy-2-propanol 12.96
    pyridine 1.85
    3-pentanone 0.38
    furfural 3.53
    n-dodecane 0.01
    diethylene glycol 8.48
    diisopropyl ether 0.03
    tert-amyl alcohol 0.6
    acetylacetone 0.57
    n-hexadecane 0.01
    acetophenone 0.17
    methyl propionate 0.7
    isopentyl acetate 0.08
    trichloroethylene 0.17
    n-nonanol 0.45
    cyclohexanol 0.71
    benzyl alcohol 0.43
    2-ethylhexanol 0.09
    isooctanol 0.24
    dipropyl ether 0.23
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.58
    propylene carbonate 0.65
    n-methylformamide 10.34
    2-pentanol 0.46
    n-pentane 0.02
    1-propoxy-2-propanol 2.21
    1-methoxy-2-propyl acetate 0.5
    2-(2-methoxypropoxy) propanol 2.06
    mesitylene 0.01
    ε-caprolactone 1.68
    p-cymene 0.02
    epichlorohydrin 3.25
    1,1,1-trichloroethane 0.02
    2-aminoethanol 15.79
    morpholine-4-carbaldehyde 21.08
    sulfolane 11.09
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.87
    n-hexyl acetate 0.36
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 4.11
    sec-butyl acetate 0.06
    tert-butyl acetate 0.1
    decalin 0.0
    glycerin 34.1
    diglyme 5.9
    acrylic acid 4.3
    isopropyl myristate 0.09
    n-butyric acid 1.22
    acetyl acetate 0.1
    di(2-ethylhexyl) phthalate 0.16
    ethyl propionate 0.12
    nitromethane 6.57
    1,2-diethoxyethane 0.79
    benzonitrile 0.1
    trioctyl phosphate 0.16
    1-bromopropane 0.07
    gamma-valerolactone 14.81
    n-decanol 0.27
    triethyl phosphate 0.08
    4-methyl-2-pentanol 0.1
    propionitrile 0.27
    vinylene carbonate 0.62
    1,1,2-trichlorotrifluoroethane 7.09
    DMS 0.29
    cumene 0.01
    2-octanol 0.26
    2-hexanone 0.24
    octyl acetate 0.23
    limonene 0.03
    1,2-dimethoxyethane 4.56
    ethyl orthosilicate 0.08
    tributyl phosphate 0.11
    diacetone alcohol 1.02
    N,N-dimethylaniline 0.09
    acrylonitrile 0.53
    aniline 0.36
    1,3-propanediol 13.36
    bromobenzene 0.01
    dibromomethane 0.05
    1,1,2,2-tetrachloroethane 0.2
    2-methyl-cyclohexyl acetate 0.08
    tetrabutyl urea 0.33
    diisobutyl methanol 0.04
    2-phenylethanol 0.2
    styrene 0.02
    dioctyl adipate 0.24
    dimethyl sulfate 1.7
    ethyl butyrate 0.12
    methyl lactate 3.13
    butyl lactate 0.88
    diethyl carbonate 0.07
    propanediol butyl ether 5.09
    triethyl orthoformate 0.17
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.46
    morpholine 13.67
    tert-butylamine 0.13
    n-dodecanol 0.15
    dimethoxymethane 6.47
    ethylene carbonate 0.44
    cyrene 3.14
    2-ethoxyethyl acetate 0.92
    2-ethylhexyl acetate 0.06
    1,2,4-trichlorobenzene 0.03
    4-methylpyridine 0.51
    dibutyl ether 0.19
    2,6-dimethyl-4-heptanol 0.04
    DEF 1.54
    dimethyl isosorbide 1.66
    tetrachloroethylene 0.15
    eugenol 0.67
    triacetin 0.65
    span 80 2.41
    1,4-butanediol 3.48
    1,1-dichloroethane 0.05
    2-methyl-1-pentanol 0.24
    methyl formate 5.2
    2-methyl-1-butanol 0.6
    n-decane 0.02
    butyronitrile 0.19
    3,7-dimethyl-1-octanol 0.13
    1-chlorooctane 0.06
    1-chlorotetradecane 0.02
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 2.09
    tetrahydropyran 1.74
    tert-amyl methyl ether 0.21
    2,5,8-trioxanonane 4.04
    1-hexene 0.03
    2-isopropoxyethanol 2.46
    2,2,2-trifluoroethanol 2.74
    methyl butyrate 0.23

    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