Myricetin 3-O-galactoside

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  • Identifiers

    CAS number
    15648-86-9

    Molecular formula
    C21H20O13

    SMILES
    C1=C(C=C(C(=C1O)O)O)C2=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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 82.34%
    Phenolic 31.5%
    Burnt 23.57%
    Savory 19.81%
    Smoky 18.46%
    Vanilla 17.16%
    Milky 16.24%
    Bitter 15.42%
    Balsamic 14.27%
    Spicy 13.52%

     

    Flavor
    Bitter 78.89%
    Odorless 38.81%
    Bland 33.33%
    Sweet-like 26.62%
    Very mild 20.58%
    Mild 20.2%
    Cedarleaf 20.09%
    Eugenol 19.91%
    Parsley 19.58%
    Nitrile 19.1%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    8.55 (weak base)

    Molecular weight
    480.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4229°C

    Melting point expt.

    • 198 - 201 °C

    Flash point

    • 325.88 ˚C est.

  • Synonyms

    • Myricetin 3-O-galactoside
    • 15648-86-9
    • Myricetin 3-galactoside
    • DM7XK7S5F6
    • 5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
    • DTXSID30166087
    • 5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
    • 5,7-dihydroxy-3-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
    • 5,7-dihydroxy-3-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
    • RefChem:1090080
    • DTXCID7088578
    • myricetin-3-galactoside
    • Myricetin 3-O-beta-D-galactopyranoside
    • 4H-1-Benzopyran-4-one, 3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-
    • myricetin-3-galactose
    • Myricetin3-O-galactoside
    • myricitin 3-O-galactoside
    • CHEMBL462244
    • MEGxp0_000183
    • orb1684391
    • SCHEMBL2290443
    • SCHEMBL29496115
    • ACon1_001299
    • CHEBI:75815
    • myricetin-3-O-beta-D-galactoside
    • HY-N3220
    • AKOS032948879
    • DA-65735
    • FM157205
    • MS-28930
    • Myricetin 3-O-galactoside; Gmelinoside I
    • CS-0023623
    • BRD-K34010557-001-01-9
    • Q27145564
    • Myricetin 3-O-beta-D-Galactopyranoside, >=85% (LC/MS-ELSD)
    • 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl beta-D-galactopyranoside
    • 3-(beta-D-Galactopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
    • 5,7-Dihydroxy-3-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
    • 5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
    • 5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-3-yl beta-D-galactopyranoside
    • 15648-86-9

  • Applications

    Myricetin 3-O-galactoside (CAS 15648-86-9) is a flavonoid glycoside that is commonly evaluated as a natural antioxidant and stabilizer in cosmetics and personal care formulations; in food processing and packaging as an antioxidant and color-management additive within regulatory limits; in coatings, inks and polymer systems as an antioxidant/UV-stabilizer to inhibit degradation of formulations; and in pharmaceutical and nutraceutical research as an intermediate for the synthesis of other flavonoid derivatives and for exploration of bioactive properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.32
    methanol 11.22
    isopropanol 4.67
    water 0.13
    ethyl acetate 0.31
    n-propanol 9.93
    acetone 1.19
    n-butanol 2.46
    acetonitrile 0.27
    DMF 40.05
    toluene 0.03
    isobutanol 1.78
    1,4-dioxane 3.87
    methyl acetate 0.9
    THF 7.95
    2-butanone 2.48
    n-pentanol 0.89
    sec-butanol 3.74
    n-hexane 0.01
    ethylene glycol 44.11
    NMP 37.98
    cyclohexane 0.01
    DMSO 80.01
    n-butyl acetate 0.17
    n-octanol 0.57
    chloroform 0.01
    n-propyl acetate 0.19
    acetic acid 15.98
    dichloromethane 0.02
    cyclohexanone 1.47
    propylene glycol 53.75
    isopropyl acetate 0.14
    DMAc 39.57
    2-ethoxyethanol 25.24
    isopentanol 0.65
    n-heptane 0.02
    ethyl formate 0.67
    1,2-dichloroethane 0.05
    n-hexanol 0.42
    2-methoxyethanol 88.61
    isobutyl acetate 0.05
    tetrachloromethane 0.01
    n-pentyl acetate 0.32
    transcutol 17.92
    n-heptanol 0.7
    ethylbenzene 0.01
    MIBK 0.15
    2-propoxyethanol 10.19
    tert-butanol 1.37
    MTBE 0.25
    2-butoxyethanol 5.99
    propionic acid 6.04
    o-xylene 0.03
    formic acid 45.08
    diethyl ether 0.45
    m-xylene 0.02
    p-xylene 0.01
    chlorobenzene 0.01
    dimethyl carbonate 1.08
    n-octane 0.01
    formamide 45.98
    cyclopentanone 4.02
    2-pentanone 0.65
    anisole 0.1
    cyclopentyl methyl ether 0.72
    gamma-butyrolactone 6.45
    1-methoxy-2-propanol 40.85
    pyridine 1.34
    3-pentanone 0.48
    furfural 3.98
    n-dodecane 0.01
    diethylene glycol 23.09
    diisopropyl ether 0.04
    tert-amyl alcohol 1.37
    acetylacetone 0.69
    n-hexadecane 0.01
    acetophenone 0.16
    methyl propionate 1.25
    isopentyl acetate 0.11
    trichloroethylene 0.06
    n-nonanol 0.6
    cyclohexanol 0.9
    benzyl alcohol 0.39
    2-ethylhexanol 0.13
    isooctanol 0.33
    dipropyl ether 0.36
    1,2-dichlorobenzene 0.01
    ethyl lactate 1.35
    propylene carbonate 0.69
    n-methylformamide 22.39
    2-pentanol 0.84
    n-pentane 0.01
    1-propoxy-2-propanol 5.2
    1-methoxy-2-propyl acetate 1.0
    2-(2-methoxypropoxy) propanol 4.16
    mesitylene 0.01
    ε-caprolactone 2.05
    p-cymene 0.02
    epichlorohydrin 2.74
    1,1,1-trichloroethane 0.01
    2-aminoethanol 57.81
    morpholine-4-carbaldehyde 35.0
    sulfolane 18.48
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.7
    n-hexyl acetate 0.39
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 7.61
    sec-butyl acetate 0.07
    tert-butyl acetate 0.17
    decalin 0.0
    glycerin 109.38
    diglyme 11.05
    acrylic acid 7.9
    isopropyl myristate 0.12
    n-butyric acid 2.01
    acetyl acetate 0.09
    di(2-ethylhexyl) phthalate 0.21
    ethyl propionate 0.19
    nitromethane 11.74
    1,2-diethoxyethane 0.92
    benzonitrile 0.07
    trioctyl phosphate 0.23
    1-bromopropane 0.04
    gamma-valerolactone 21.89
    n-decanol 0.39
    triethyl phosphate 0.16
    4-methyl-2-pentanol 0.16
    propionitrile 0.35
    vinylene carbonate 0.54
    1,1,2-trichlorotrifluoroethane 9.74
    DMS 0.39
    cumene 0.01
    2-octanol 0.34
    2-hexanone 0.26
    octyl acetate 0.28
    limonene 0.03
    1,2-dimethoxyethane 7.84
    ethyl orthosilicate 0.14
    tributyl phosphate 0.17
    diacetone alcohol 2.31
    N,N-dimethylaniline 0.1
    acrylonitrile 0.74
    aniline 0.28
    1,3-propanediol 33.35
    bromobenzene 0.0
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.08
    2-methyl-cyclohexyl acetate 0.12
    tetrabutyl urea 0.51
    diisobutyl methanol 0.07
    2-phenylethanol 0.22
    styrene 0.01
    dioctyl adipate 0.32
    dimethyl sulfate 2.8
    ethyl butyrate 0.18
    methyl lactate 8.45
    butyl lactate 1.37
    diethyl carbonate 0.1
    propanediol butyl ether 8.29
    triethyl orthoformate 0.29
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.71
    morpholine 15.37
    tert-butylamine 0.25
    n-dodecanol 0.23
    dimethoxymethane 10.46
    ethylene carbonate 0.4
    cyrene 5.43
    2-ethoxyethyl acetate 0.9
    2-ethylhexyl acetate 0.08
    1,2,4-trichlorobenzene 0.02
    4-methylpyridine 0.32
    dibutyl ether 0.22
    2,6-dimethyl-4-heptanol 0.07
    DEF 2.46
    dimethyl isosorbide 3.26
    tetrachloroethylene 0.06
    eugenol 1.14
    triacetin 0.89
    span 80 3.97
    1,4-butanediol 7.39
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 0.31
    methyl formate 7.47
    2-methyl-1-butanol 1.05
    n-decane 0.02
    butyronitrile 0.17
    3,7-dimethyl-1-octanol 0.19
    1-chlorooctane 0.05
    1-chlorotetradecane 0.02
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 2.93
    tetrahydropyran 1.34
    tert-amyl methyl ether 0.32
    2,5,8-trioxanonane 7.57
    1-hexene 0.02
    2-isopropoxyethanol 5.18
    2,2,2-trifluoroethanol 3.88
    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