Quercetin

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  • Identifiers

    CAS number
    117-39-5

    Molecular formula
    C15H10O7

    SMILES
    C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Odorless 65.71%
    Phenolic 56.07%
    Burnt 38.42%
    Smoky 24.72%
    Medicinal 22.95%
    Spicy 19.52%
    Savory 19.11%
    Balsamic 17.41%
    Bitter 16.88%
    Dry 15.85%

     

    Flavor
    Bitter 93.23%
    Odorless 26.4%
    Sweet-like 22.02%
    Mild 20.91%
    Bland 20.8%
    Very strong 20.39%
    Cedarleaf 20.39%
    Eugenol 20.33%
    Rotten 20.14%
    Indole 20.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    10.43 (weak base)

    Molecular weight
    302.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 601 to 603 °F (NTP, 1992)
    • 316.5 °C
    • 316 - 318 °C

    Boiling point

    • Sublimes (NTP, 1992)
    • Sublimes

    Flash point

    • 255.73 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • 60 mg/L (at 16 °C)
    • Very soluble in ether, methanol; soluble in ethanol, acetone, pyridine, acetic acid
    • Soluble in alcohol and glacial acetic acid; insoluble in water
    • In water, 60 mg/L at 16 °C
    • 0.06 mg/mL at 16 °C

  • Synonyms

    • quercetin
    • 117-39-5
    • Meletin
    • Sophoretin
    • Xanthaurine
    • Quercetine
    • Quercetol
    • Quertine
    • Quercitin
    • 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
    • 3,3',4',5,7-Pentahydroxyflavone
    • Quertin
    • Cyanidelonon 1522
    • Flavin meletin
    • 3,5,7,3',4'-Pentahydroxyflavone
    • T-Gelb bzw. grun 1
    • C.I. Natural Yellow 10
    • Cyanidenolon 1522
    • C.I. 75670
    • C.I. Natural red 1
    • Corvitin
    • 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one
    • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
    • Korvitin
    • Lipoflavon
    • 3',4',5,7-Tetrahydroxyflavan-3-ol
    • Flavone, 3,3',4',5,7-pentahydroxy-
    • NSC 9219
    • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-
    • NCI-C60106
    • 3'-hydroxykaempferol
    • NSC9219
    • 3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on
    • NSC-9219
    • 9IKM0I5T1E
    • CI 75670
    • DTXSID4021218
    • CHEBI:16243
    • Ci-75670
    • NSC-57655
    • LDN-0052529
    • Flavone, 3,4',5,5',7-pentahydroxy-
    • DTXCID001218
    • Quercetin (constituent of ginkgo)
    • Dikvertin
    • Quercetin,
    • Quercetin Phenolic
    • flavan-3,4-diols
    • Quercetin 1540
    • RefChem:6678
    • 204-187-1
    • Quercetin content
    • Kvercetin
    • C.I. Natural yellow 10 & 13
    • MFCD00006828
    • CCRIS 1639
    • HSDB 3529
    • Quercetin (GMP)
    • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one
    • 3',4',5,7-tetrahydroxyflavon-3-ol
    • AI3-26018
    • CHEMBL50
    • 2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one
    • Kvercetin [Czech]
    • Natural Yellow 10
    • 3,5,7-trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one
    • CI Natural Yellow 10
    • QUE
    • 3,3',4',5,7-Pentahydroxyflavone dihydrate
    • BRD9794
    • BRD-9794
    • CAS-117-39-5
    • NSC57655
    • NSC58588
    • 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one dihydrate
    • SR-01000076098
    • EINECS 204-187-1
    • UNII-9IKM0I5T1E
    • MixCom3_000183
    • BRN 0317313
    • quceritin
    • quenterin
    • Ritacetin
    • Quer
    • 74893-81-5
    • quercetin aglycone
    • 4dfu
    • 4mra
    • Quercetin2H2O
    • Meletin;Sophoretin
    • KUC104418N
    • KUC107684N
    • 3,3',4,5,7-Pentahydroxyflavone
    • LIM-5662
    • LNS-5662
    • TNP00070
    • TNP00089
    • KSC-23-76
    • Quercetin (Standard)
    • Quercetin_sathishkumar
    • KSC-10-126
    • Quercetin (Sophoretin)
    • Spectrum_000124
    • Tocris-1125
    • 3cf8
    • QUERCETIN [DSC]
    • QUERCETIN [MI]
    • BiomolKI_000062
    • QUERCETIN [HSDB]
    • QUERCETIN [IARC]
    • Maybridge1_008992
    • Prestwick0_000507
    • Prestwick1_000507
    • Prestwick2_000507
    • Prestwick3_000507
    • Spectrum2_000059
    • Spectrum3_000642
    • Spectrum4_000807
    • Spectrum5_001389
    • Lopac-Q-0125
    • QUERCETIN [VANDF]
    • P0042
    • C.I. natural yellow 13
    • BiomolKI2_000068
    • Enicostemma Littorale Blume
    • UPCMLD-DP081
    • Q 0125
    • quercetin

  • Applications

    Quercetin (CAS 117-39-5) is a natural flavonol widely used as an antioxidant ingredient in cosmetics and personal care formulations, where it helps stabilize products and can contribute photoprotective benefits in skin care. In the food processing sector, it is evaluated as a natural antioxidant and polyphenolic colorant that can be added to foods and beverages to improve oxidative stability and impart a natural hue. In nutraceuticals and pharmaceutical research, quercetin is commonly used as a bioactive ingredient in dietary supplements and functional products and is studied as a lead flavonoid scaffold for potential pharmaceutical applications. In agriculture, it is explored as a natural plant bioactive for crop protection formulations or as a biostimulant to support plant health. In polymers and coatings, quercetin can be used as a natural antioxidant additive to improve aging resistance of materials. In cleaning formulations, it may be considered as an antioxidant additive to improve formulation stability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.07
    methanol 7.93
    isopropanol 7.93
    water 0.01
    ethyl acetate 4.21
    n-propanol 12.79
    acetone 0.05
    n-butanol 12.64
    acetonitrile 0.13
    DMF 27.93
    toluene 0.04
    isobutanol 4.57
    1,4-dioxane 2.2
    methyl acetate 1.89
    THF 27.7
    2-butanone 3.85
    n-pentanol 3.23
    sec-butanol 16.3
    n-hexane 0.0
    ethylene glycol 6.72
    NMP 32.38
    cyclohexane 0.0
    DMSO 98.94
    n-butyl acetate 2.55
    n-octanol 3.05
    chloroform 0.0
    n-propyl acetate 1.82
    acetic acid 1.67
    dichloromethane 0.0
    cyclohexanone 3.38
    propylene glycol 9.92
    isopropyl acetate 2.57
    DMAc 56.7
    2-ethoxyethanol 35.93
    isopentanol 7.54
    n-heptane 0.02
    ethyl formate 1.34
    1,2-dichloroethane 0.01
    n-hexanol 2.91
    2-methoxyethanol 118.73
    isobutyl acetate 0.27
    tetrachloromethane 0.0
    n-pentyl acetate 2.02
    transcutol 27.51
    n-heptanol 3.11
    ethylbenzene 0.05
    MIBK 1.95
    2-propoxyethanol 36.92
    tert-butanol 7.72
    MTBE 1.9
    2-butoxyethanol 13.87
    propionic acid 3.96
    o-xylene 0.08
    formic acid 4.13
    diethyl ether 1.09
    m-xylene 0.05
    p-xylene 0.03
    chlorobenzene 0.0
    dimethyl carbonate 2.04
    n-octane 0.01
    formamide 10.26
    cyclopentanone 7.83
    2-pentanone 3.48
    anisole 0.48
    cyclopentyl methyl ether 4.28
    gamma-butyrolactone 11.61
    1-methoxy-2-propanol 103.76
    pyridine 0.84
    3-pentanone 1.66
    furfural 4.84
    n-dodecane 0.02
    diethylene glycol 33.95
    diisopropyl ether 0.23
    tert-amyl alcohol 14.52
    acetylacetone 2.63
    n-hexadecane 0.02
    acetophenone 0.84
    methyl propionate 7.87
    isopentyl acetate 1.91
    trichloroethylene 0.01
    n-nonanol 3.25
    cyclohexanol 3.84
    benzyl alcohol 1.04
    2-ethylhexanol 1.51
    isooctanol 2.02
    dipropyl ether 1.91
    1,2-dichlorobenzene 0.01
    ethyl lactate 4.68
    propylene carbonate 1.96
    n-methylformamide 13.73
    2-pentanol 7.68
    n-pentane 0.01
    1-propoxy-2-propanol 24.72
    1-methoxy-2-propyl acetate 9.17
    2-(2-methoxypropoxy) propanol 11.55
    mesitylene 0.04
    ε-caprolactone 8.19
    p-cymene 0.14
    epichlorohydrin 4.68
    1,1,1-trichloroethane 0.0
    2-aminoethanol 17.71
    morpholine-4-carbaldehyde 25.85
    sulfolane 33.11
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 8.78
    n-hexyl acetate 3.17
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 18.62
    sec-butyl acetate 1.28
    tert-butyl acetate 3.36
    decalin 0.01
    glycerin 33.6
    diglyme 23.75
    acrylic acid 2.5
    isopropyl myristate 1.13
    n-butyric acid 7.77
    acetyl acetate 0.46
    di(2-ethylhexyl) phthalate 0.89
    ethyl propionate 2.96
    nitromethane 3.42
    1,2-diethoxyethane 3.79
    benzonitrile 0.19
    trioctyl phosphate 1.13
    1-bromopropane 0.02
    gamma-valerolactone 24.76
    n-decanol 2.12
    triethyl phosphate 1.2
    4-methyl-2-pentanol 2.26
    propionitrile 0.79
    vinylene carbonate 0.78
    1,1,2-trichlorotrifluoroethane 7.4
    DMS 1.51
    cumene 0.04
    2-octanol 2.2
    2-hexanone 1.68
    octyl acetate 1.86
    limonene 0.23
    1,2-dimethoxyethane 23.21
    ethyl orthosilicate 1.12
    tributyl phosphate 1.03
    diacetone alcohol 22.78
    N,N-dimethylaniline 0.48
    acrylonitrile 1.1
    aniline 0.5
    1,3-propanediol 39.32
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.02
    2-methyl-cyclohexyl acetate 1.08
    tetrabutyl urea 2.13
    diisobutyl methanol 1.04
    2-phenylethanol 1.42
    styrene 0.02
    dioctyl adipate 1.6
    dimethyl sulfate 5.17
    ethyl butyrate 2.67
    methyl lactate 16.6
    butyl lactate 4.48
    diethyl carbonate 0.91
    propanediol butyl ether 11.94
    triethyl orthoformate 2.36
    p-tert-butyltoluene 0.15
    methyl 4-tert-butylbenzoate 2.92
    morpholine 17.75
    tert-butylamine 1.05
    n-dodecanol 1.2
    dimethoxymethane 20.36
    ethylene carbonate 0.79
    cyrene 8.84
    2-ethoxyethyl acetate 3.51
    2-ethylhexyl acetate 1.14
    1,2,4-trichlorobenzene 0.02
    4-methylpyridine 0.71
    dibutyl ether 1.48
    2,6-dimethyl-4-heptanol 1.04
    DEF 15.85
    dimethyl isosorbide 13.05
    tetrachloroethylene 0.01
    eugenol 3.75
    triacetin 2.47
    span 80 7.04
    1,4-butanediol 4.94
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 2.64
    methyl formate 2.86
    2-methyl-1-butanol 9.33
    n-decane 0.04
    butyronitrile 0.81
    3,7-dimethyl-1-octanol 1.85
    1-chlorooctane 0.2
    1-chlorotetradecane 0.07
    n-nonane 0.02
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 6.03
    tetrahydropyran 1.81
    tert-amyl methyl ether 4.22
    2,5,8-trioxanonane 16.54
    1-hexene 0.03
    2-isopropoxyethanol 12.35
    2,2,2-trifluoroethanol 0.7
    methyl butyrate 3.98

    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