Astragalin

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  • Identifiers

    CAS number
    480-10-4

    Molecular formula
    C21H20O11

    SMILES
    C1=CC(=CC=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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 75.82%
    Phenolic 36.09%
    Vanilla 27.01%
    Burnt 22.6%
    Savory 22.15%
    Bitter 20.7%
    Milky 20.37%
    Smoky 19.86%
    Sweet 17.89%
    Creamy 17.78%

     

    Flavor
    Bitter 82.77%
    Odorless 34.74%
    Bland 31.57%
    Sweet-like 25.84%
    Cedarleaf 20.3%
    Parsley 19.65%
    Lovage 19.47%
    Eugenol 19.42%
    Very mild 19.38%
    Nitrile 19.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    8.45 (weak base)

    Molecular weight
    448.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3589°C

    Melting point expt.

    • 178 °C

    Flash point

    • 307.91 ˚C est.

  • Synonyms

    • Astragalin
    • 480-10-4
    • Astragaline
    • kaempferol-3-glucoside
    • Kaempferol 3-O-glucoside
    • Kaempferol 3-O-beta-D-glucopyranoside
    • 3,4',5,7-Tetrahydroxyflavone-3-glucoside
    • Kaempferol 3-O-beta-D-glucoside
    • APM8UQ3Z9O
    • 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-
    • DTXSID801017739
    • CHEBI:30200
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-4H-chromen-4-one
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one
    • RefChem:5570
    • DTXCID101475934
    • 610-400-2
    • Kaempferol 3-glucoside
    • asragalin
    • Kaempferol-3-beta-monoglucoside
    • Kaempferol-3-beta-glucopyranoside
    • MFCD00075932
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
    • CHEMBL233930
    • Kaempferol 3-beta-D-glucopyranoside
    • kaempferol-3-O-beta-glucopyranoside
    • KAEMPFEROL 3-O-GLUCOPYRANOSIDE
    • Kaempferol 3-O-.beta.-D-glucopyranoside
    • Kaempferol-3-D-glucoside
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
    • 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside
    • kaempferol-3-o-glucopyranoside
    • UNII-APM8UQ3Z9O
    • Kaempferol 3-beta-D-glucopyranoside, >=97.0% (HPLC)
    • Astraglin
    • Astragalin?
    • kaempferol-glucose
    • kaempferol hexoside
    • Kaempferol 3-|A-D-glucopyranoside
    • KAEMPFEROL 3-beta-D-GLUCOSIDE
    • kaempferol-3-hexoside
    • Astragalin (Standard)
    • kaempferol-3-glycoside
    • apigenin-3-O-glucoside
    • A1EGV
    • kaemferol-3-O-glucoside
    • kaempferol 3-O-hexoside
    • 3-O-b-D-Glucopyranoside
    • kaempferol-3-D-glucopyranose
    • SCHEMBL23897
    • K5
    • MLS002473092
    • Kaempferol 3-b-glucopyranoside
    • kaempferol-3-D-glucopyranoside
    • MEGxp0_000168
    • kaempferol-3-o-beta-d-glucoside
    • SCHEMBL29349479
    • ACon1_001224
    • cid_5282102
    • HY-N0015R
    • 3-O-(beta-D-glucosyl)kaempferol
    • kaempferol-3-O-D-glucopyranoside
    • 3-O-(beta-D-glucoside)kaempferol
    • BDBM226182
    • GLXC-13293
    • HMS2227A14
    • HY-N0015
    • kaempferol 3-O-beta-glucopyranoside
    • BDBM50241243
    • s9289
    • ZB1884
    • kaempferol-3-o-beta-d-glucopyranoside
    • AKOS015896779
    • CCG-269212
    • CS-3720
    • EBC-445044
    • Kaempferol 3-O-beta-D-glucoside (6)
    • MK10036
    • KAEMPFEROL 3-.BETA.-D-GLUCOSIDE
    • KAEMPFEROL 3-O-.BETA.-GLUCOSIDE
    • Kaempferol-3-O-.beta.-D-glucopyranoside
    • NCGC00163580-01
    • NCGC00163580-02
    • AC-35088
    • SMR001397194
    • SY027576
    • KAEMPFEROL 3-O-.BETA.-D-GLUCOSIDE
    • Kaempferol 3-glucoside, analytical standard
    • 3,4'',5,7-Tetrahydroxyflavone-3-glucoside
    • NS00097613
    • KAEMPFEROL 3-.BETA.-D-GLUCOPYRANOSIDE
    • 480A104
    • SR-05000002271
    • Q4811191
    • SR-05000002271-2
    • 3-O-b-D-Glucopyranosyloxy-4',5,7-trihydroxyflavone
    • BRD-K44487476-001-01-5
    • (2S,3S)-DIHYROKAEMPFEROL 3-O-.BETA.-D-GLUCOSIDE
    • 4',5,7-TRIHYDROXYFLAVONE 3-.BETA.-D-GLUCOPYRANOSIDE
    • KAEMPFEROL 3-O-GLUCOSIDE (CONSTITUENT OF GINKGO) [DSC]
    • Astragaline;3-Glucosylkaempferol;Kaempferol 3--D-glucopyranoside
    • Kaempferol 3-glucoside, primary pharmaceutical reference standard
    • 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl beta-D-glucopyranoside
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl .beta.-D-glucopyranoside
    • 4H-1-BENZOPYRAN-4-ONE, 3-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-
    • 480-10-4

  • Applications

    Astragalin (CAS 480-10-4) is a kaempferol-3-O-glucoside flavonoid that is typically handled as a natural product in research and formulation contexts. In cosmetics and personal care, it may be used as an antioxidant ingredient and formulation stabilizer. In food-related applications, it is often evaluated as a natural antioxidant or additive in formulations or packaging materials, subject to regulatory limits. In pharmaceutical and nutraceutical research, astragalin is studied as a bioactive flavonoid with potential activity, typically used as a lead compound in natural product research and in analytical studies. In chemical synthesis contexts, it can serve as an intermediate for the preparation of flavonoid derivatives in laboratory research. In phytochemical analysis, astragalin is employed as a reference compound for analytical method development and quantification in plant extracts.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.04
    methanol 8.71
    isopropanol 3.96
    water 0.08
    ethyl acetate 0.26
    n-propanol 8.14
    acetone 4.01
    n-butanol 2.0
    acetonitrile 0.42
    DMF 40.07
    toluene 0.05
    isobutanol 1.76
    1,4-dioxane 3.63
    methyl acetate 0.95
    THF 9.26
    2-butanone 3.57
    n-pentanol 1.02
    sec-butanol 3.15
    n-hexane 0.01
    ethylene glycol 36.2
    NMP 38.06
    cyclohexane 0.01
    DMSO 149.27
    n-butyl acetate 0.18
    n-octanol 0.49
    chloroform 0.02
    n-propyl acetate 0.21
    acetic acid 17.91
    dichloromethane 0.03
    cyclohexanone 2.44
    propylene glycol 41.5
    isopropyl acetate 0.15
    DMAc 45.21
    2-ethoxyethanol 21.95
    isopentanol 0.69
    n-heptane 0.02
    ethyl formate 0.64
    1,2-dichloroethane 0.07
    n-hexanol 0.44
    2-methoxyethanol 70.24
    isobutyl acetate 0.07
    tetrachloromethane 0.01
    n-pentyl acetate 0.32
    transcutol 20.76
    n-heptanol 0.62
    ethylbenzene 0.02
    MIBK 0.26
    2-propoxyethanol 8.73
    tert-butanol 1.46
    MTBE 0.25
    2-butoxyethanol 5.37
    propionic acid 5.37
    o-xylene 0.04
    formic acid 39.17
    diethyl ether 0.38
    m-xylene 0.03
    p-xylene 0.03
    chlorobenzene 0.01
    dimethyl carbonate 1.0
    n-octane 0.01
    formamide 42.88
    cyclopentanone 6.68
    2-pentanone 0.95
    anisole 0.14
    cyclopentyl methyl ether 0.72
    gamma-butyrolactone 7.39
    1-methoxy-2-propanol 32.85
    pyridine 1.61
    3-pentanone 0.65
    furfural 4.99
    n-dodecane 0.01
    diethylene glycol 20.44
    diisopropyl ether 0.04
    tert-amyl alcohol 1.33
    acetylacetone 1.22
    n-hexadecane 0.01
    acetophenone 0.27
    methyl propionate 1.09
    isopentyl acetate 0.15
    trichloroethylene 0.09
    n-nonanol 0.54
    cyclohexanol 0.94
    benzyl alcohol 0.57
    2-ethylhexanol 0.15
    isooctanol 0.35
    dipropyl ether 0.35
    1,2-dichlorobenzene 0.01
    ethyl lactate 1.29
    propylene carbonate 0.77
    n-methylformamide 19.95
    2-pentanol 0.66
    n-pentane 0.01
    1-propoxy-2-propanol 4.59
    1-methoxy-2-propyl acetate 1.05
    2-(2-methoxypropoxy) propanol 4.93
    mesitylene 0.02
    ε-caprolactone 2.33
    p-cymene 0.03
    epichlorohydrin 3.51
    1,1,1-trichloroethane 0.01
    2-aminoethanol 43.3
    morpholine-4-carbaldehyde 30.43
    sulfolane 26.1
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.9
    n-hexyl acetate 0.4
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 8.32
    sec-butyl acetate 0.09
    tert-butyl acetate 0.22
    decalin 0.0
    glycerin 85.1
    diglyme 11.69
    acrylic acid 7.62
    isopropyl myristate 0.15
    n-butyric acid 1.7
    acetyl acetate 0.12
    di(2-ethylhexyl) phthalate 0.34
    ethyl propionate 0.17
    nitromethane 15.39
    1,2-diethoxyethane 0.97
    benzonitrile 0.13
    trioctyl phosphate 0.3
    1-bromopropane 0.04
    gamma-valerolactone 26.57
    n-decanol 0.38
    triethyl phosphate 0.18
    4-methyl-2-pentanol 0.17
    propionitrile 0.41
    vinylene carbonate 0.63
    1,1,2-trichlorotrifluoroethane 10.51
    DMS 0.44
    cumene 0.01
    2-octanol 0.29
    2-hexanone 0.44
    octyl acetate 0.33
    limonene 0.05
    1,2-dimethoxyethane 7.71
    ethyl orthosilicate 0.17
    tributyl phosphate 0.25
    diacetone alcohol 2.91
    N,N-dimethylaniline 0.14
    acrylonitrile 0.93
    aniline 0.34
    1,3-propanediol 25.22
    bromobenzene 0.01
    dibromomethane 0.02
    1,1,2,2-tetrachloroethane 0.11
    2-methyl-cyclohexyl acetate 0.19
    tetrabutyl urea 0.75
    diisobutyl methanol 0.09
    2-phenylethanol 0.33
    styrene 0.02
    dioctyl adipate 0.44
    dimethyl sulfate 2.86
    ethyl butyrate 0.18
    methyl lactate 6.81
    butyl lactate 1.39
    diethyl carbonate 0.11
    propanediol butyl ether 7.7
    triethyl orthoformate 0.3
    p-tert-butyltoluene 0.03
    methyl 4-tert-butylbenzoate 0.96
    morpholine 12.86
    tert-butylamine 0.24
    n-dodecanol 0.24
    dimethoxymethane 9.71
    ethylene carbonate 0.43
    cyrene 6.61
    2-ethoxyethyl acetate 0.89
    2-ethylhexyl acetate 0.1
    1,2,4-trichlorobenzene 0.03
    4-methylpyridine 0.44
    dibutyl ether 0.23
    2,6-dimethyl-4-heptanol 0.09
    DEF 2.19
    dimethyl isosorbide 4.67
    tetrachloroethylene 0.08
    eugenol 1.48
    triacetin 1.07
    span 80 4.2
    1,4-butanediol 7.17
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 0.41
    methyl formate 7.8
    2-methyl-1-butanol 1.01
    n-decane 0.02
    butyronitrile 0.22
    3,7-dimethyl-1-octanol 0.23
    1-chlorooctane 0.05
    1-chlorotetradecane 0.02
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 2.99
    tetrahydropyran 1.45
    tert-amyl methyl ether 0.31
    2,5,8-trioxanonane 8.69
    1-hexene 0.03
    2-isopropoxyethanol 5.03
    2,2,2-trifluoroethanol 3.93
    methyl butyrate 0.32

    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