Diosmetin 7-O-beta-D-glucoside

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  • Identifiers

    CAS number
    20126-59-4

    Molecular formula
    C22H22O11

    SMILES
    COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 72.02%
    Vanilla 37.68%
    Phenolic 31.44%
    Sweet 25.81%
    Milky 24.51%
    Creamy 22.09%
    Savory 21.87%
    Burnt 21.18%
    Balsamic 20.28%
    Smoky 20.24%

     

    Flavor
    Bitter 80.72%
    Bland 33.75%
    Odorless 32.3%
    Sweet-like 25.83%
    Cedarleaf 20.44%
    Parsley 20.18%
    Eugenol 19.94%
    Lovage 19.62%
    Very mild 19.26%
    Ethyl benzoate 19.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    8.2 (weak base)

    Molecular weight
    462.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3127°C

    Flash point

    • 291.3 ˚C est.

  • Synonyms

    • 20126-59-4
    • Diosmetin 7-O-glucoside
    • Diosmetol 7-glucoside
    • Eridictiol
    • X641V68UOZ
    • Diosmetin 7-O-beta-D-glucoside
    • DTXSID401310783
    • Flavone, 3',5,7-trihydroxy-4'-methoxy-, 7-beta-D-glucopyranoside
    • RefChem:1083749
    • DTXCID601740621
    • diosmetin-7-o-beta-d-glucopyranoside
    • Diosmetin 7-O-beta-D-glucopyranoside
    • Diosmetin-7-O-|A-D-glucopyranoside
    • 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
    • CHEMBL488001
    • 3',5-Dihydroxy-7-(beta-D-glucopyranosyloxy)-4'-methoxyflavone
    • Flavone, 3',5,7-trihydroxy-4'-methoxy-, 7-.beta.-D-glucopyranoside
    • 7-.beta.-D-Glucopyranosyldiosmetol
    • MFCD20526611
    • 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    • Diosmetin 7-O-.beta.-D-glucopyranoside
    • 4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-
    • Diosmetin-?7-?o-??-?D-?glucopyranoside
    • diosmetin-7-glucoside
    • Diosmetin-7-O-glucoside
    • Diosmin Impurity 1
    • diosmetin 7-O-hexose
    • diosmetin-7-O-hexose
    • UNII-X641V68UOZ
    • DIOSMETIN 7-GLUCOSIDE
    • diosmetin-7-O-glucopyranoside
    • diosmetin-7-o-beta-d-glucoside
    • orb1302348
    • SCHEMBL30640936
    • CHEBI:188752
    • Diosmetin-7-o--D-glucopyranoside
    • WKUHPOMCLBLCOV-MIUGBVLSSA-N
    • Diosmetin 7-O-I(2)-D-glucoside
    • diosmetin-7-O-beta-glucopyranoside
    • Diosmetin-7-O-b-D-glucopyranoside
    • HY-N0713
    • 4'-O-methyl-luteolin-7-O-glucoside
    • BDBM50503753
    • ZB1879
    • AKOS030530342
    • EBC-616829
    • MD33275
    • DIOSMETIN 7-O-.BETA.-GLUCOSIDE
    • 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
    • AC-34873
    • DA-72795
    • DIOSMETIN 7-O-.BETA.-D-GLUCOSIDE
    • MS-28493
    • CS-0009731
    • DIOSMETIN, 7-.BETA.-D-GLUCOPYRANOSIDE
    • 7-O-(.BETA.-D-GLUCOPYRANOSYL)DIOSMETINE
    • GLUCOPYRANOSIDE, DIOSMETIN-7, .BETA.-D-
    • Q23055362
    • 3',5-Dihydroxy-7-(|A-D-glucopyranosyloxy)-4'-methoxyflavone
    • 7-O-.BETA.-D-GLUCOPYRANOSYL-3',5-DIHYDROXY-4'-METHOXYFLAVONE
    • 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside
    • 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl hexopyranoside #
    • 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
    • 7-(.BETA.-D-GLUCOPYRANOSYLOXY)-5-HYDROXY-2-(3-HYDROXY-4-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE
    • Diosmetin-7-o-beta-D-glucopyranoside; 4H-1-Benzopyran-4-one, 7-(ss-D-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-; Diosmetin, 7-ss-D-glucopyranoside (6CI); Flavone, 3',5,7-trihydroxy-4'-methoxy-, 7-ss-D-glucopyranoside (8CI); Glucopyranoside, diosmetin-7, ss-D- (8CI); 7-(ss-D-Glucop
    • 20126-59-4

  • Applications

    Diosmetin 7-O-beta-D-glucoside (CAS 20126-59-4) has several applications in research and development, primarily across cosmetics and personal care, pharmaceuticals, and natural product chemistry. In cosmetics, it is evaluated as a formulation ingredient or precursor with antioxidant and color-stabilizing potential; in pharmaceutical and agrochemical R&D it serves as an intermediate in the synthesis of flavonoid derivatives; it also functions as an analytical reference standard and research reagent for phytochemical studies; it has been investigated as an antioxidant additive for polymer coatings, paints, and inks within formulation limits; and it is explored as a building block or precursor in flavor/fragrance research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.11
    methanol 0.56
    isopropanol 0.09
    water 0.02
    ethyl acetate 0.01
    n-propanol 0.26
    acetone 0.09
    n-butanol 0.11
    acetonitrile 0.01
    DMF 5.5
    toluene 0.0
    isobutanol 0.08
    1,4-dioxane 0.36
    methyl acetate 0.05
    THF 0.6
    2-butanone 0.14
    n-pentanol 0.05
    sec-butanol 0.14
    n-hexane 0.0
    ethylene glycol 2.82
    NMP 6.13
    cyclohexane 0.0
    DMSO 17.95
    n-butyl acetate 0.01
    n-octanol 0.07
    chloroform 0.0
    n-propyl acetate 0.01
    acetic acid 0.81
    dichloromethane 0.0
    cyclohexanone 0.17
    propylene glycol 3.35
    isopropyl acetate 0.01
    DMAc 6.06
    2-ethoxyethanol 2.16
    isopentanol 0.06
    n-heptane 0.0
    ethyl formate 0.04
    1,2-dichloroethane 0.01
    n-hexanol 0.03
    2-methoxyethanol 8.4
    isobutyl acetate 0.01
    tetrachloromethane 0.0
    n-pentyl acetate 0.03
    transcutol 4.53
    n-heptanol 0.08
    ethylbenzene 0.0
    MIBK 0.02
    2-propoxyethanol 1.08
    tert-butanol 0.06
    MTBE 0.02
    2-butoxyethanol 1.13
    propionic acid 0.31
    o-xylene 0.0
    formic acid 3.98
    diethyl ether 0.02
    m-xylene 0.0
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.1
    n-octane 0.0
    formamide 3.56
    cyclopentanone 0.38
    2-pentanone 0.05
    anisole 0.01
    cyclopentyl methyl ether 0.06
    gamma-butyrolactone 0.49
    1-methoxy-2-propanol 3.46
    pyridine 0.11
    3-pentanone 0.04
    furfural 0.62
    n-dodecane 0.0
    diethylene glycol 2.99
    diisopropyl ether 0.0
    tert-amyl alcohol 0.09
    acetylacetone 0.08
    n-hexadecane 0.0
    acetophenone 0.02
    methyl propionate 0.06
    isopentyl acetate 0.01
    trichloroethylene 0.01
    n-nonanol 0.08
    cyclohexanol 0.08
    benzyl alcohol 0.04
    2-ethylhexanol 0.02
    isooctanol 0.05
    dipropyl ether 0.04
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.16
    propylene carbonate 0.07
    n-methylformamide 1.45
    2-pentanol 0.04
    n-pentane 0.0
    1-propoxy-2-propanol 0.57
    1-methoxy-2-propyl acetate 0.1
    2-(2-methoxypropoxy) propanol 1.18
    mesitylene 0.0
    ε-caprolactone 0.19
    p-cymene 0.0
    epichlorohydrin 0.28
    1,1,1-trichloroethane 0.0
    2-aminoethanol 3.03
    morpholine-4-carbaldehyde 5.71
    sulfolane 3.62
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.11
    n-hexyl acetate 0.06
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 1.85
    sec-butyl acetate 0.01
    tert-butyl acetate 0.02
    decalin 0.0
    glycerin 15.59
    diglyme 3.43
    acrylic acid 0.63
    isopropyl myristate 0.02
    n-butyric acid 0.13
    acetyl acetate 0.01
    di(2-ethylhexyl) phthalate 0.06
    ethyl propionate 0.02
    nitromethane 0.87
    1,2-diethoxyethane 0.12
    benzonitrile 0.01
    trioctyl phosphate 0.04
    1-bromopropane 0.0
    gamma-valerolactone 2.74
    n-decanol 0.05
    triethyl phosphate 0.03
    4-methyl-2-pentanol 0.02
    propionitrile 0.02
    vinylene carbonate 0.07
    1,1,2-trichlorotrifluoroethane 1.89
    DMS 0.05
    cumene 0.0
    2-octanol 0.04
    2-hexanone 0.03
    octyl acetate 0.04
    limonene 0.01
    1,2-dimethoxyethane 1.22
    ethyl orthosilicate 0.03
    tributyl phosphate 0.04
    diacetone alcohol 0.27
    N,N-dimethylaniline 0.02
    acrylonitrile 0.06
    aniline 0.03
    1,3-propanediol 1.94
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.02
    2-methyl-cyclohexyl acetate 0.02
    tetrabutyl urea 0.1
    diisobutyl methanol 0.01
    2-phenylethanol 0.03
    styrene 0.0
    dioctyl adipate 0.06
    dimethyl sulfate 0.47
    ethyl butyrate 0.02
    methyl lactate 0.85
    butyl lactate 0.2
    diethyl carbonate 0.02
    propanediol butyl ether 1.58
    triethyl orthoformate 0.05
    p-tert-butyltoluene 0.0
    methyl 4-tert-butylbenzoate 0.18
    morpholine 0.96
    tert-butylamine 0.01
    n-dodecanol 0.03
    dimethoxymethane 0.99
    ethylene carbonate 0.04
    cyrene 1.46
    2-ethoxyethyl acetate 0.12
    2-ethylhexyl acetate 0.01
    1,2,4-trichlorobenzene 0.0
    4-methylpyridine 0.03
    dibutyl ether 0.03
    2,6-dimethyl-4-heptanol 0.01
    DEF 0.21
    dimethyl isosorbide 1.04
    tetrachloroethylene 0.01
    eugenol 0.31
    triacetin 0.18
    span 80 0.81
    1,4-butanediol 0.46
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.04
    methyl formate 0.6
    2-methyl-1-butanol 0.09
    n-decane 0.0
    butyronitrile 0.01
    3,7-dimethyl-1-octanol 0.03
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.17
    tetrahydropyran 0.08
    tert-amyl methyl ether 0.03
    2,5,8-trioxanonane 2.43
    1-hexene 0.0
    2-isopropoxyethanol 0.49
    2,2,2-trifluoroethanol 0.37
    methyl butyrate 0.03

    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