Quercetin 4'-O-glucoside

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  • Identifiers

    CAS number
    20229-56-5

    Molecular formula
    C21H20O12

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 79.99%
    Phenolic 31.73%
    Burnt 23.82%
    Vanilla 23.36%
    Savory 21.49%
    Milky 19.38%
    Smoky 18.83%
    Bitter 17.34%
    Balsamic 15.93%
    Creamy 15.28%

     

    Flavor
    Bitter 80.22%
    Odorless 37.31%
    Bland 32.87%
    Sweet-like 26.63%
    Very mild 20.53%
    Cedarleaf 20.11%
    Eugenol 19.91%
    Parsley 19.64%
    Mild 19.63%
    Lovage 19.19%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    9.35 (weak base)

    Molecular weight
    464.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4440°C

    Melting point expt.

    • 240 - 241 °C

    Flash point

    • 325.52 ˚C est.

  • Synonyms

    • Spiraeoside
    • 20229-56-5
    • Quercetin 4'-O-glucoside
    • Quercetin-4'-glucoside
    • DTXSID00174078
    • K2B74751XI
    • 3,5,7-trihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
    • 4H-1-Benzopyran-4-one, 2-[4-(beta-D-glucopyranosyloxy)-3-hydroxyphenyl]-3,5,7-trihydroxy-
    • 4H-1-Benzopyran-4-one, 2-(4-(beta-D-glucopyranosyloxy)-3-hydroxyphenyl)-3,5,7-trihydroxy-
    • 3,5,7-trihydroxy-2-(3-hydroxy-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)chromen-4-one
    • RefChem:50432
    • DTXCID5096569
    • 3,5,7-trihydroxy-2-(3-hydroxy-4-((2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)chromen-4-one
    • 243-614-6
    • Spiraein
    • Spiraeosid
    • Quercetin 4'-glucoside
    • MFCD00221723
    • quercetin 4'-O-beta-D-glucopyranoside
    • CHEMBL402947
    • Spireoside
    • Spiraein (Acacia)
    • 3,5,7-Trihydroxy-2-(3-hydroxy-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-4H-chromen-4-one
    • quercetin-4'-o-glucoside
    • EINECS 243-614-6
    • Quercetin 4'-b-D-glucoside
    • UNII-K2B74751XI
    • 4H-1-BENZOPYRAN-4-ONE, 2-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)-3-HYDROXYPHENYL)-3,5,7-TRIHYDROXY-
    • 4H-1-Benzopyran-4-one, 2-[4-(.beta.-D-glucopyranosyloxy)-3-hydroxyphenyl]-3,5,7-trihydroxy-
    • quercetin-4'-glycoside
    • quercetin-4-O-glucoside
    • 2-(4-(beta-D-Glucopyranosyloxy)-3-hydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one
    • quercetin-4'-O-monoglucoside
    • SPIRAEOSIDE [WHO-DD]
    • quercetin-4'-o-beta-glucoside
    • Spireoside (6CI,7CI,8CI)
    • orb2663553
    • SCHEMBL1155660
    • Spiraeoside, analytical standard
    • SCHEMBL29399620
    • SCHEMBL29707303
    • CHEBI:75839
    • HMS6019C04
    • QUERCETIN 4'-MONOGLUCOSIDE
    • HY-N8253
    • BDBM50362884
    • AKOS025146959
    • quercetin-4'-o-beta-d-glucopyranoside
    • FS65174
    • LUTEOLIN 4'-.BETA.-D-GLUCOSIDE
    • NCGC00163625-01
    • NCGC00163625-02
    • 3,5,7-trihydroxy-2-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one
    • MS-28545
    • CS-0141978
    • NS00026552
    • QUERCETIN 4'-.BETA.-D-GLUCOPYRANOSIDE
    • D85150
    • 229S565
    • Q7577713
    • 2-Hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl beta-D-glucopyranoside
    • 2-hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl beta-D-glucopyranoside
    • 4H-1-Benzopyran-4-one, 2-[4-(|A-D-glucopyranosyloxy)-3-hydroxyphenyl]-3,5,7-trihydroxy-
    • 3,5,7-trihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]chromen-4-one
    • 20229-56-5

  • Applications

    Quercetin 4'-O-glucoside (CAS 20229-56-5) is a flavonoid glycoside commonly explored as a natural antioxidant in cosmetic and personal care formulations, helping to stabilize products against oxidative degradation. It is also evaluated as a functional ingredient in food processing and nutraceuticals to contribute antioxidant activity and plant-derived nutritional value. In chemical research and development, it serves as an intermediate or reference material for glycosylation reactions and plant metabolite studies. In materials science, it is investigated as a stabilizing additive in polymers and coatings to improve oxidative stability. Additionally, it is used as an analytical standard or marker compound in plant science and agricultural research to profile flavonoid content.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.35
    methanol 4.35
    isopropanol 0.99
    water 0.1
    ethyl acetate 0.06
    n-propanol 2.61
    acetone 0.62
    n-butanol 0.69
    acetonitrile 0.07
    DMF 17.17
    toluene 0.02
    isobutanol 0.46
    1,4-dioxane 1.79
    methyl acetate 0.17
    THF 4.03
    2-butanone 0.69
    n-pentanol 0.29
    sec-butanol 0.94
    n-hexane 0.0
    ethylene glycol 17.46
    NMP 16.58
    cyclohexane 0.01
    DMSO 49.36
    n-butyl acetate 0.05
    n-octanol 0.31
    chloroform 0.0
    n-propyl acetate 0.05
    acetic acid 3.92
    dichloromethane 0.0
    cyclohexanone 0.64
    propylene glycol 17.43
    isopropyl acetate 0.04
    DMAc 17.01
    2-ethoxyethanol 10.37
    isopentanol 0.23
    n-heptane 0.01
    ethyl formate 0.16
    1,2-dichloroethane 0.01
    n-hexanol 0.15
    2-methoxyethanol 43.58
    isobutyl acetate 0.02
    tetrachloromethane 0.0
    n-pentyl acetate 0.13
    transcutol 9.0
    n-heptanol 0.35
    ethylbenzene 0.01
    MIBK 0.06
    2-propoxyethanol 4.46
    tert-butanol 0.38
    MTBE 0.07
    2-butoxyethanol 3.28
    propionic acid 1.3
    o-xylene 0.02
    formic acid 18.18
    diethyl ether 0.12
    m-xylene 0.01
    p-xylene 0.01
    chlorobenzene 0.0
    dimethyl carbonate 0.28
    n-octane 0.01
    formamide 17.97
    cyclopentanone 1.83
    2-pentanone 0.23
    anisole 0.04
    cyclopentyl methyl ether 0.29
    gamma-butyrolactone 2.07
    1-methoxy-2-propanol 15.54
    pyridine 0.49
    3-pentanone 0.15
    furfural 1.63
    n-dodecane 0.0
    diethylene glycol 10.67
    diisopropyl ether 0.01
    tert-amyl alcohol 0.41
    acetylacetone 0.28
    n-hexadecane 0.0
    acetophenone 0.07
    methyl propionate 0.26
    isopentyl acetate 0.04
    trichloroethylene 0.01
    n-nonanol 0.33
    cyclohexanol 0.34
    benzyl alcohol 0.17
    2-ethylhexanol 0.06
    isooctanol 0.16
    dipropyl ether 0.13
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.42
    propylene carbonate 0.21
    n-methylformamide 7.12
    2-pentanol 0.22
    n-pentane 0.01
    1-propoxy-2-propanol 2.0
    1-methoxy-2-propyl acetate 0.31
    2-(2-methoxypropoxy) propanol 2.17
    mesitylene 0.01
    ε-caprolactone 0.7
    p-cymene 0.01
    epichlorohydrin 0.85
    1,1,1-trichloroethane 0.0
    2-aminoethanol 21.4
    morpholine-4-carbaldehyde 16.47
    sulfolane 8.49
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.66
    n-hexyl acetate 0.18
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 4.39
    sec-butyl acetate 0.02
    tert-butyl acetate 0.05
    decalin 0.0
    glycerin 47.29
    diglyme 6.33
    acrylic acid 2.01
    isopropyl myristate 0.05
    n-butyric acid 0.45
    acetyl acetate 0.03
    di(2-ethylhexyl) phthalate 0.11
    ethyl propionate 0.05
    nitromethane 2.96
    1,2-diethoxyethane 0.37
    benzonitrile 0.03
    trioctyl phosphate 0.12
    1-bromopropane 0.01
    gamma-valerolactone 10.21
    n-decanol 0.2
    triethyl phosphate 0.06
    4-methyl-2-pentanol 0.06
    propionitrile 0.08
    vinylene carbonate 0.17
    1,1,2-trichlorotrifluoroethane 3.45
    DMS 0.12
    cumene 0.0
    2-octanol 0.17
    2-hexanone 0.11
    octyl acetate 0.12
    limonene 0.02
    1,2-dimethoxyethane 3.8
    ethyl orthosilicate 0.05
    tributyl phosphate 0.08
    diacetone alcohol 0.91
    N,N-dimethylaniline 0.05
    acrylonitrile 0.18
    aniline 0.1
    1,3-propanediol 13.74
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.02
    2-methyl-cyclohexyl acetate 0.05
    tetrabutyl urea 0.26
    diisobutyl methanol 0.03
    2-phenylethanol 0.09
    styrene 0.01
    dioctyl adipate 0.15
    dimethyl sulfate 0.84
    ethyl butyrate 0.06
    methyl lactate 2.41
    butyl lactate 0.55
    diethyl carbonate 0.03
    propanediol butyl ether 4.66
    triethyl orthoformate 0.1
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.35
    morpholine 6.44
    tert-butylamine 0.07
    n-dodecanol 0.11
    dimethoxymethane 4.27
    ethylene carbonate 0.12
    cyrene 3.05
    2-ethoxyethyl acetate 0.36
    2-ethylhexyl acetate 0.03
    1,2,4-trichlorobenzene 0.0
    4-methylpyridine 0.13
    dibutyl ether 0.11
    2,6-dimethyl-4-heptanol 0.03
    DEF 0.78
    dimethyl isosorbide 1.76
    tetrachloroethylene 0.02
    eugenol 0.59
    triacetin 0.35
    span 80 1.99
    1,4-butanediol 2.94
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.12
    methyl formate 2.42
    2-methyl-1-butanol 0.33
    n-decane 0.01
    butyronitrile 0.05
    3,7-dimethyl-1-octanol 0.09
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 1.0
    tetrahydropyran 0.51
    tert-amyl methyl ether 0.11
    2,5,8-trioxanonane 4.46
    1-hexene 0.01
    2-isopropoxyethanol 2.04
    2,2,2-trifluoroethanol 1.05
    methyl butyrate 0.09

    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