Quercimeritrin

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  • Identifiers

    CAS number
    491-50-9

    Molecular formula
    C21H20O12

    SMILES
    C1=CC(=C(C=C1C2=C(C(=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)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 79.68%
    Phenolic 32.1%
    Burnt 25.01%
    Vanilla 23.96%
    Savory 20.85%
    Smoky 19.45%
    Milky 19.14%
    Bitter 17.48%
    Balsamic 16.48%
    Creamy 15.28%

     

    Flavor
    Bitter 80.0%
    Odorless 37.44%
    Bland 32.51%
    Sweet-like 26.86%
    Very mild 20.72%
    Cedarleaf 20.01%
    Eugenol 19.89%
    Mild 19.86%
    Parsley 19.54%
    Lovage 19.17%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    9.03 (weak base)

    Molecular weight
    464.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3881°C

    Flash point

    • 324.43 ˚C est.

  • Synonyms

    • Quercimeritrin
    • Quercimeritroside
    • C.I. 75710
    • Quercetin 7-O-beta-D-glucoside
    • 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-4H-1-benzopyran-4-one
    • 3,5-Dihydroxy-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-4H-1-benzopyran-4-one
    • 177033M1DL
    • 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    • CHEBI:28529
    • NSC-115917
    • 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside
    • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-
    • quercetin 7-O-beta-glucopyranoside
    • 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one
    • RefChem:47358
    • 491-50-9
    • quercetin-7-o-beta-d-glucopyranoside
    • Quercetin-7-O-glucoside
    • Quercetin 7-glucoside
    • Quercetin 7-O-glucoside
    • Quercetin-7-O-|A-D-glucopyranoside
    • Quercetin-7-O-b-D-glucopyranoside
    • MFCD01762823
    • QUERCETIN-7-O-?-D-GLUCOPYRANOSIDE
    • 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
    • Quercetin-7-O-glucoside 1000 microg/mL in Acetone
    • Quercetin-7-glucoside
    • Quercetin 7-.beta.-D-glucopyranoside
    • UNII-177033M1DL
    • QUERCIMETRIN
    • 7-O-ss-D-glucopyranoside
    • QUERCIMERITRIN [MI]
    • CHEMBL248726
    • orb1297590
    • quercetin-7-o-beta-d-glucoside
    • SCHEMBL1305182
    • Quercetin-7-o-D-glucopyranoside
    • SCHEMBL29557175
    • Quercetin-7-o--D-glucopyranoside
    • MSK158912
    • quercetin 7-O-beta-D-glucopyranoside
    • ZB1861
    • AKOS025401623
    • AC-2364
    • EBC-615846
    • MQ74569
    • NSC 115917
    • 4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-
    • 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
    • 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
    • DA-67066
    • MS-28546
    • QUERCETIN 7-O-.BETA.-GLUCOPYRANOSIDE
    • 491Q509
    • Q23069184
    • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(.beta.-D-glucopyranosyloxy)-3,5-dihydroxy-
    • 491-50-9

  • Applications

    Quercimeritrin (CAS 491-50-9) is a flavonol glycoside that can serve as a versatile intermediate and bioactive scaffold in chemical synthesis, and is commonly evaluated as an antioxidant additive in cosmetics and personal care formulations; it can function as a starting material for the preparation of flavonoid derivatives in pharmaceutical development, and may be explored as a natural stabilizer or antioxidant contributor in industrial polymer formulations; it is also considered for use in food processing as a natural antioxidant in permitted contexts, and in research as a reference standard for analytical methods involving flavonoid glycosides.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.81
    methanol 5.12
    isopropanol 1.18
    water 0.12
    ethyl acetate 0.06
    n-propanol 3.07
    acetone 0.45
    n-butanol 0.82
    acetonitrile 0.05
    DMF 16.18
    toluene 0.01
    isobutanol 0.5
    1,4-dioxane 1.55
    methyl acetate 0.16
    THF 3.29
    2-butanone 0.62
    n-pentanol 0.28
    sec-butanol 1.13
    n-hexane 0.0
    ethylene glycol 18.7
    NMP 12.58
    cyclohexane 0.0
    DMSO 43.21
    n-butyl acetate 0.04
    n-octanol 0.31
    chloroform 0.0
    n-propyl acetate 0.04
    acetic acid 4.18
    dichloromethane 0.0
    cyclohexanone 0.5
    propylene glycol 18.37
    isopropyl acetate 0.03
    DMAc 15.38
    2-ethoxyethanol 11.3
    isopentanol 0.24
    n-heptane 0.01
    ethyl formate 0.17
    1,2-dichloroethane 0.01
    n-hexanol 0.14
    2-methoxyethanol 50.4
    isobutyl acetate 0.01
    tetrachloromethane 0.0
    n-pentyl acetate 0.11
    transcutol 9.18
    n-heptanol 0.33
    ethylbenzene 0.01
    MIBK 0.05
    2-propoxyethanol 4.31
    tert-butanol 0.39
    MTBE 0.08
    2-butoxyethanol 3.29
    propionic acid 1.43
    o-xylene 0.01
    formic acid 19.45
    diethyl ether 0.12
    m-xylene 0.01
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.25
    n-octane 0.01
    formamide 19.78
    cyclopentanone 1.35
    2-pentanone 0.19
    anisole 0.03
    cyclopentyl methyl ether 0.23
    gamma-butyrolactone 1.72
    1-methoxy-2-propanol 16.69
    pyridine 0.38
    3-pentanone 0.12
    furfural 1.35
    n-dodecane 0.0
    diethylene glycol 10.68
    diisopropyl ether 0.01
    tert-amyl alcohol 0.45
    acetylacetone 0.23
    n-hexadecane 0.0
    acetophenone 0.05
    methyl propionate 0.24
    isopentyl acetate 0.03
    trichloroethylene 0.01
    n-nonanol 0.32
    cyclohexanol 0.32
    benzyl alcohol 0.13
    2-ethylhexanol 0.05
    isooctanol 0.15
    dipropyl ether 0.11
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.4
    propylene carbonate 0.17
    n-methylformamide 7.28
    2-pentanol 0.25
    n-pentane 0.0
    1-propoxy-2-propanol 1.94
    1-methoxy-2-propyl acetate 0.28
    2-(2-methoxypropoxy) propanol 2.11
    mesitylene 0.0
    ε-caprolactone 0.61
    p-cymene 0.01
    epichlorohydrin 0.76
    1,1,1-trichloroethane 0.0
    2-aminoethanol 24.1
    morpholine-4-carbaldehyde 14.86
    sulfolane 6.7
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.57
    n-hexyl acetate 0.16
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 4.26
    sec-butyl acetate 0.02
    tert-butyl acetate 0.05
    decalin 0.0
    glycerin 49.07
    diglyme 6.31
    acrylic acid 2.02
    isopropyl myristate 0.04
    n-butyric acid 0.53
    acetyl acetate 0.02
    di(2-ethylhexyl) phthalate 0.09
    ethyl propionate 0.04
    nitromethane 2.92
    1,2-diethoxyethane 0.35
    benzonitrile 0.02
    trioctyl phosphate 0.1
    1-bromopropane 0.01
    gamma-valerolactone 8.99
    n-decanol 0.19
    triethyl phosphate 0.05
    4-methyl-2-pentanol 0.06
    propionitrile 0.07
    vinylene carbonate 0.14
    1,1,2-trichlorotrifluoroethane 3.25
    DMS 0.11
    cumene 0.0
    2-octanol 0.17
    2-hexanone 0.09
    octyl acetate 0.11
    limonene 0.01
    1,2-dimethoxyethane 3.93
    ethyl orthosilicate 0.05
    tributyl phosphate 0.07
    diacetone alcohol 0.86
    N,N-dimethylaniline 0.04
    acrylonitrile 0.16
    aniline 0.08
    1,3-propanediol 16.48
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.02
    2-methyl-cyclohexyl acetate 0.04
    tetrabutyl urea 0.22
    diisobutyl methanol 0.03
    2-phenylethanol 0.07
    styrene 0.0
    dioctyl adipate 0.13
    dimethyl sulfate 0.76
    ethyl butyrate 0.05
    methyl lactate 2.4
    butyl lactate 0.53
    diethyl carbonate 0.03
    propanediol butyl ether 4.45
    triethyl orthoformate 0.1
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.31
    morpholine 6.18
    tert-butylamine 0.07
    n-dodecanol 0.1
    dimethoxymethane 4.03
    ethylene carbonate 0.1
    cyrene 2.51
    2-ethoxyethyl acetate 0.33
    2-ethylhexyl acetate 0.02
    1,2,4-trichlorobenzene 0.0
    4-methylpyridine 0.09
    dibutyl ether 0.1
    2,6-dimethyl-4-heptanol 0.03
    DEF 0.71
    dimethyl isosorbide 1.46
    tetrachloroethylene 0.02
    eugenol 0.54
    triacetin 0.32
    span 80 1.85
    1,4-butanediol 2.96
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.11
    methyl formate 2.24
    2-methyl-1-butanol 0.37
    n-decane 0.01
    butyronitrile 0.04
    3,7-dimethyl-1-octanol 0.08
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.93
    tetrahydropyran 0.45
    tert-amyl methyl ether 0.11
    2,5,8-trioxanonane 4.23
    1-hexene 0.01
    2-isopropoxyethanol 1.95
    2,2,2-trifluoroethanol 1.13
    methyl butyrate 0.08

    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