Isoquercitrin

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  • Identifiers

    CAS number
    21637-25-2

    Molecular formula
    C21H20O12

    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](O4)[C@@H](CO)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 81.26%
    Phenolic 29.34%
    Burnt 22.37%
    Vanilla 21.86%
    Savory 21.1%
    Milky 18.96%
    Smoky 17.6%
    Bitter 17.09%
    Balsamic 15.86%
    Creamy 14.66%

     

    Flavor
    Bitter 78.14%
    Odorless 41.93%
    Bland 35.19%
    Sweet-like 27.25%
    Very mild 21.69%
    Mild 20.22%
    Cedarleaf 19.62%
    Eugenol 19.28%
    Parsley 19.15%
    Nitrile 18.77%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    8.31 (weak base)

    Molecular weight
    464.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3406°C

    Flash point

    • 330.96 ˚C est.

  • Synonyms

    • 21637-25-2
    • Isoquercitroside
    • Isotrifolin
    • 0YX10VRV6J
    • quercetin 3-O-beta-D-glucofuranoside
    • 3,3',4',5,7-Pentahydroxyflavone 3-beta-D-glucofuranoside
    • CHEBI:28299
    • DTXSID80904976
    • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-
    • Flavone, 3,3',4',5,7-pentahydroxy-, 3-beta-D-glucofuranoside
    • 2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-glucofuranoside
    • RefChem:5924
    • DTXCID101334095
    • quercetin 3-(beta-D-glucofuranoside)
    • ISOQUERCETIN ENZYMATICALLY MODIFIED
    • 4H-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one
    • 244-488-5
    • Isoquercitrin
    • Isotrifoliin
    • 3-(((2S,3R,4R,5R)-5-((R)-1,2-Dihydroxyethyl)-3,4-dihydroxytetrahydrofuran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
    • C21H20O12
    • MFCD29050128
    • CCRIS 7093
    • 3-[[(2S,3R,4R,5R)-5-[(R)-1,2-Dihydroxyethyl]-3,4-dihydroxytetrahydrofuran-2-yl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
    • EINECS 244-488-5
    • UNII-0YX10VRV6J
    • BIDD:PXR0033
    • SCHEMBL24608
    • orb1689949
    • OPJZLUXFQFQYAI-GNPVFZCLSA-N
    • HMS6018G05
    • Rutoside Trihydrate EP Impurity A
    • Quercitin-3-beta-D-glucofuranoside
    • HY-N0768
    • MSK156859
    • AKOS027257412
    • EBC-457099
    • 3-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
    • 3-{[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
    • BS-15919
    • SY074201
    • CS-0009793
    • NS00050387
    • Isoquercitrin (Isoquercitroside; Isoquercetin)
    • QUERCETIN 3-(.BETA.-D-GLUCOFURANOSIDE)
    • QUERCETIN 3-O-.BETA.-D-GLUCOFURANOSIDE
    • Q27103621
    • FLAVONE, 3,3',4',5,7-PENTAHYDROXY-, 3-.BETA.-D-GLUCOFURANOSIDE
    • 2-(3,4-Dihydroxyphenyl)-3-(|_-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
    • 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl beta-D-glucofuranoside
    • 3-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one
    • 4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-3-(.BETA.-D-GLUCOFURANOSYLOXY)-5,7-DIHYDROXY-
    • 21637-25-2

  • Applications

    Isoquercitrin (CAS 21637-25-2) is a flavonoid glycoside that is used as a natural antioxidant and stabilizing component in cosmetic and personal care formulations to help mitigate oxidation and extend product shelf life. In the food-processing sector, it is evaluated as a natural antioxidant and color-protecting additive to support oxidation control in fats, oils, and beverages. In pharmaceutical and nutraceutical contexts, isoquercitrin is studied for formulation applications and may serve as an active component or functional excipient. It is also used as a reference standard or analytical reagent in polyphenol quantification methods (e.g., HPLC) in research and industry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.14
    methanol 16.06
    isopropanol 7.46
    water 0.24
    ethyl acetate 0.58
    n-propanol 14.07
    acetone 2.72
    n-butanol 4.07
    acetonitrile 0.64
    DMF 72.93
    toluene 0.04
    isobutanol 2.8
    1,4-dioxane 6.14
    methyl acetate 1.64
    THF 14.38
    2-butanone 4.46
    n-pentanol 1.51
    sec-butanol 5.82
    n-hexane 0.01
    ethylene glycol 53.12
    NMP 51.99
    cyclohexane 0.01
    DMSO 128.23
    n-butyl acetate 0.28
    n-octanol 1.06
    chloroform 0.03
    n-propyl acetate 0.35
    acetic acid 27.92
    dichloromethane 0.04
    cyclohexanone 2.9
    propylene glycol 64.78
    isopropyl acetate 0.27
    DMAc 68.36
    2-ethoxyethanol 39.82
    isopentanol 1.14
    n-heptane 0.02
    ethyl formate 1.42
    1,2-dichloroethane 0.08
    n-hexanol 0.64
    2-methoxyethanol 132.01
    isobutyl acetate 0.09
    tetrachloromethane 0.01
    n-pentyl acetate 0.57
    transcutol 24.8
    n-heptanol 1.08
    ethylbenzene 0.02
    MIBK 0.32
    2-propoxyethanol 15.45
    tert-butanol 2.32
    MTBE 0.42
    2-butoxyethanol 9.07
    propionic acid 9.11
    o-xylene 0.04
    formic acid 69.91
    diethyl ether 0.69
    m-xylene 0.02
    p-xylene 0.02
    chlorobenzene 0.01
    dimethyl carbonate 1.88
    n-octane 0.02
    formamide 71.64
    cyclopentanone 7.9
    2-pentanone 1.31
    anisole 0.16
    cyclopentyl methyl ether 1.03
    gamma-butyrolactone 11.83
    1-methoxy-2-propanol 64.48
    pyridine 2.01
    3-pentanone 0.8
    furfural 7.25
    n-dodecane 0.01
    diethylene glycol 32.59
    diisopropyl ether 0.06
    tert-amyl alcohol 2.22
    acetylacetone 1.43
    n-hexadecane 0.01
    acetophenone 0.29
    methyl propionate 2.11
    isopentyl acetate 0.2
    trichloroethylene 0.11
    n-nonanol 1.07
    cyclohexanol 1.4
    benzyl alcohol 0.63
    2-ethylhexanol 0.21
    isooctanol 0.53
    dipropyl ether 0.52
    1,2-dichlorobenzene 0.01
    ethyl lactate 2.29
    propylene carbonate 1.38
    n-methylformamide 36.57
    2-pentanol 1.33
    n-pentane 0.02
    1-propoxy-2-propanol 7.5
    1-methoxy-2-propyl acetate 1.57
    2-(2-methoxypropoxy) propanol 6.21
    mesitylene 0.01
    ε-caprolactone 3.86
    p-cymene 0.02
    epichlorohydrin 5.3
    1,1,1-trichloroethane 0.01
    2-aminoethanol 69.27
    morpholine-4-carbaldehyde 52.55
    sulfolane 29.01
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.95
    n-hexyl acetate 0.75
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 11.21
    sec-butyl acetate 0.14
    tert-butyl acetate 0.3
    decalin 0.0
    glycerin 129.06
    diglyme 16.46
    acrylic acid 12.25
    isopropyl myristate 0.23
    n-butyric acid 3.81
    acetyl acetate 0.21
    di(2-ethylhexyl) phthalate 0.4
    ethyl propionate 0.34
    nitromethane 23.87
    1,2-diethoxyethane 1.48
    benzonitrile 0.14
    trioctyl phosphate 0.42
    1-bromopropane 0.06
    gamma-valerolactone 38.1
    n-decanol 0.69
    triethyl phosphate 0.25
    4-methyl-2-pentanol 0.28
    propionitrile 0.67
    vinylene carbonate 1.09
    1,1,2-trichlorotrifluoroethane 15.43
    DMS 0.67
    cumene 0.01
    2-octanol 0.56
    2-hexanone 0.55
    octyl acetate 0.53
    limonene 0.05
    1,2-dimethoxyethane 13.81
    ethyl orthosilicate 0.23
    tributyl phosphate 0.33
    diacetone alcohol 3.97
    N,N-dimethylaniline 0.16
    acrylonitrile 1.43
    aniline 0.36
    1,3-propanediol 50.24
    bromobenzene 0.0
    dibromomethane 0.02
    1,1,2,2-tetrachloroethane 0.15
    2-methyl-cyclohexyl acetate 0.23
    tetrabutyl urea 0.96
    diisobutyl methanol 0.11
    2-phenylethanol 0.37
    styrene 0.02
    dioctyl adipate 0.6
    dimethyl sulfate 4.52
    ethyl butyrate 0.29
    methyl lactate 12.7
    butyl lactate 2.24
    diethyl carbonate 0.18
    propanediol butyl ether 12.73
    triethyl orthoformate 0.48
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 1.15
    morpholine 23.71
    tert-butylamine 0.36
    n-dodecanol 0.41
    dimethoxymethane 18.52
    ethylene carbonate 0.81
    cyrene 8.82
    2-ethoxyethyl acetate 1.57
    2-ethylhexyl acetate 0.13
    1,2,4-trichlorobenzene 0.03
    4-methylpyridine 0.53
    dibutyl ether 0.4
    2,6-dimethyl-4-heptanol 0.11
    DEF 4.63
    dimethyl isosorbide 5.03
    tetrachloroethylene 0.1
    eugenol 1.88
    triacetin 1.55
    span 80 5.92
    1,4-butanediol 11.98
    1,1-dichloroethane 0.03
    2-methyl-1-pentanol 0.56
    methyl formate 13.81
    2-methyl-1-butanol 1.78
    n-decane 0.03
    butyronitrile 0.36
    3,7-dimethyl-1-octanol 0.35
    1-chlorooctane 0.09
    1-chlorotetradecane 0.03
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 4.3
    tetrahydropyran 2.26
    tert-amyl methyl ether 0.52
    2,5,8-trioxanonane 10.66
    1-hexene 0.04
    2-isopropoxyethanol 8.64
    2,2,2-trifluoroethanol 7.09
    methyl butyrate 0.62

    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