Quercetin Dihydrate

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  • Identifiers

    CAS number
    6151-25-3

    Molecular formula
    C15H14O9

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

    pKa est.
    10.43 (weak base)

    Molecular weight
    338.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    958°C

    Flash point

    • 255.73 ˚C est.

  • Synonyms

    • Quercetin dihydrate
    • 6151-25-3
    • CCRIS 3304
    • DTXSID9021219
    • UNII-53B03V78A6
    • 53B03V78A6
    • Flavone, 3,3',4',5,7-pentahydroxy-, dihydrate
    • DTXCID401219
    • QUERCETIN DIHYDRATE [MI]
    • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrate
    • QUERCETIN DIHYDRATE [WHO-DD]
    • RefChem:178113
    • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate
    • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one dihydrate
    • MFCD00149487
    • Quercetine dihydrate
    • Quercetin (dihydrate)
    • Quercetin dihydrate (Sophoretin)
    • 3,3',4',5,7-Pentahydroxyflavone dihydrate
    • NCGC00017056-01
    • CAS-6151-25-3
    • 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one dihydrate
    • Quercetindihydrate
    • Prestwick_541
    • Quercertin Dihydrate
    • Quercetin dihydrate CRS
    • SCHEMBL22103
    • BMK1-G2
    • orb1300602
    • CHEMBL1520590
    • SCHEMBL29597013
    • HY-N0146R
    • GMGIWEZSKCNYSW-UHFFFAOYSA-N
    • Quercetin (dihydrate) (Standard)
    • HMS1569F15
    • HMS2096F15
    • HMS3403F09
    • HMS3656A09
    • HMS3884N13
    • HMS5080H14
    • BB_NC-00479
    • HY-N0146
    • Tox21_110761
    • Tox21_201150
    • 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-onedihydrate
    • HB0543
    • s2347
    • SBB058176
    • AKOS004910448
    • Tox21_110761_1
    • CCG-208320
    • NCGC00015870-27
    • NCGC00258702-01
    • AS-13663
    • SY061661
    • CS-0007880
    • ST50309238
    • SW148203-5
    • F003435
    • 3,5,7,3',4'-PENTAHYDROXYFLAVONE DIHYDRATE
    • Q27261093
    • F0001-1629
    • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one;dihydrate
    • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one, hydrate, hydrate
    • 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one--water (1/2)
    • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one, oxamethane, oxamethane
    • 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one Dihydrate (Quercetin Dihydrate)
    • 6151-25-3

  • Applications

    Quercetin Dihydrate, CAS 6151-25-3, finds real-world use as a natural antioxidant in cosmetic and personal care formulations, helping stabilize matrices and protect products from oxidation. It is also evaluated for food processing applications as a natural antioxidant and a potential colorant. In coatings, inks, and decorative finishes, it can serve as a natural pigment and color stabilizer; in polymer and plastics formulations, Quercetin Dihydrate may act as an antioxidant or UV stabilizer. In pharmaceutical and nutraceutical research, it is studied as a flavonoid with biological activity and may be used as a component for formulation development, subject to local regulations and formulation limits.

    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