Quercetagetin

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  • Identifiers

    CAS number
    90-18-6

    Molecular formula
    C15H10O8

    SMILES
    C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 64.44%
    Phenolic 52.87%
    Burnt 41.05%
    Smoky 26.0%
    Medicinal 22.26%
    Spicy 18.53%
    Savory 17.61%
    Balsamic 17.23%
    Dry 14.69%
    Caramellic 14.51%

     

    Flavor
    Bitter 89.91%
    Odorless 26.96%
    Sweet-like 22.63%
    Mild 22.6%
    Bland 21.58%
    Eugenol 20.68%
    Rotten 20.13%
    Very strong 19.91%
    Cedarleaf 19.74%
    Indole 19.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    10.33 (weak base)

    Molecular weight
    318.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1149°C

    Flash point

    • 272.08 ˚C est.

  • Synonyms

    • Quercetagetin
    • 90-18-6
    • 6-Hydroxyquercetin
    • 3,3',4',5,6,7-Hexahydroxyflavone
    • 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxychromen-4-one
    • SV68G507VO
    • NSC-115916
    • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-
    • CHEBI:8695
    • DTXSID80237978
    • 3,5,6,7-Tetrahydroxy-2-(3,4-dihydroxyphenyl)-4H-1-benzopyran-4-one
    • Quercetogetin
    • RefChem:47609
    • DTXCID30160469
    • 201-973-6
    • Quercetagenin
    • 3,5,6,7,3',4'-Hexahydroxyflavone
    • 2-(3,4-Dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one
    • MFCD00017428
    • 2-(3,4-Dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-1-benzopyran-4-one
    • CHEMBL413552
    • 2-(3,4-Dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4-benzopyrone
    • Flavone, 3,3',4',5,6,7-hexahydroxy-
    • 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-chromen-4-one
    • 3,5,6,7-Tetrahydroxy-2-(3,4-Dihydroxyphenyl)-4h-Chromen-4-One
    • UNII-SV68G507VO
    • MYU
    • EINECS 201-973-6
    • NSC 115916
    • 3v3v
    • Quercetagetin (Standard)
    • QUERCETAGETIN [MI]
    • SCHEMBL554527
    • orb1299208
    • SCHEMBL29608135
    • SCHEMBL29690479
    • BDBM23408
    • HY-N4149R
    • 3,4',5,6,7-Hexahydroxyflavone
    • HMS3229L21
    • 3,3'4,5,6,7-hexOH-Flavone
    • HY-N4149
    • LMPK12112983
    • MSK170391
    • NSC115916
    • AKOS040759308
    • CCG-101296
    • EBC-433056
    • Flavone,3',4',5,6,7-hexahydroxy-
    • FQ65384
    • AC-34306
    • MS-24691
    • DB-057186
    • CS-0032238
    • NS00039353
    • ST50331681
    • G60890
    • Q5931085
    • 2-(3,4-Dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one #
    • 4H-1-Benzopyran-4-one,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-
    • Quercetagetin

  • Applications

    Quercetagetin (CAS 90-18-6) is a natural flavonol primarily encountered as an intermediate in the synthesis of flavonoid derivatives and is studied as an antioxidant and stabilizer in cosmetic formulations, helping extend product shelf life and color stability; it is also evaluated as an antioxidant additive for polymer and coating systems to improve durability and photostability. Owing to its polyhydroxylated structure, it can serve as a natural colorant or pigment precursor for inks and coatings. In research and development, quercetagetin is often used as a reference compound in structure–activity studies of flavonoids and to support the development of flavonoid derivatives in pharmaceutical and agrochemical research. The above applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.21
    methanol 0.43
    isopropanol 0.29
    water 0.01
    ethyl acetate 0.15
    n-propanol 0.64
    acetone 0.0
    n-butanol 0.53
    acetonitrile 0.0
    DMF 2.41
    toluene 0.01
    isobutanol 0.24
    1,4-dioxane 0.32
    methyl acetate 0.09
    THF 1.08
    2-butanone 0.09
    n-pentanol 0.18
    sec-butanol 1.21
    n-hexane 0.0
    ethylene glycol 2.02
    NMP 5.27
    cyclohexane 0.0
    DMSO 4.12
    n-butyl acetate 0.19
    n-octanol 1.03
    chloroform 0.0
    n-propyl acetate 0.08
    acetic acid 0.14
    dichloromethane 0.0
    cyclohexanone 0.09
    propylene glycol 2.9
    isopropyl acetate 0.16
    DMAc 8.52
    2-ethoxyethanol 6.48
    isopentanol 0.51
    n-heptane 0.01
    ethyl formate 0.05
    1,2-dichloroethane 0.0
    n-hexanol 0.29
    2-methoxyethanol 20.44
    isobutyl acetate 0.02
    tetrachloromethane 0.0
    n-pentyl acetate 0.4
    transcutol 11.32
    n-heptanol 0.91
    ethylbenzene 0.01
    MIBK 0.08
    2-propoxyethanol 7.77
    tert-butanol 0.78
    MTBE 0.27
    2-butoxyethanol 5.56
    propionic acid 0.52
    o-xylene 0.02
    formic acid 0.94
    diethyl ether 0.07
    m-xylene 0.01
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.31
    n-octane 0.0
    formamide 1.74
    cyclopentanone 0.2
    2-pentanone 0.06
    anisole 0.09
    cyclopentyl methyl ether 0.38
    gamma-butyrolactone 0.72
    1-methoxy-2-propanol 19.3
    pyridine 0.08
    3-pentanone 0.06
    furfural 0.59
    n-dodecane 0.01
    diethylene glycol 8.85
    diisopropyl ether 0.03
    tert-amyl alcohol 2.16
    acetylacetone 0.09
    n-hexadecane 0.01
    acetophenone 0.1
    methyl propionate 0.45
    isopentyl acetate 0.21
    trichloroethylene 0.0
    n-nonanol 1.17
    cyclohexanol 0.36
    benzyl alcohol 0.15
    2-ethylhexanol 0.24
    isooctanol 0.63
    dipropyl ether 0.33
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.81
    propylene carbonate 0.17
    n-methylformamide 0.99
    2-pentanol 0.58
    n-pentane 0.0
    1-propoxy-2-propanol 6.41
    1-methoxy-2-propyl acetate 1.76
    2-(2-methoxypropoxy) propanol 4.9
    mesitylene 0.01
    ε-caprolactone 0.7
    p-cymene 0.03
    epichlorohydrin 0.21
    1,1,1-trichloroethane 0.0
    2-aminoethanol 3.92
    morpholine-4-carbaldehyde 6.49
    sulfolane 3.4
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.62
    n-hexyl acetate 0.72
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 7.65
    sec-butyl acetate 0.11
    tert-butyl acetate 0.44
    decalin 0.0
    glycerin 14.46
    diglyme 9.25
    acrylic acid 0.48
    isopropyl myristate 0.31
    n-butyric acid 0.5
    acetyl acetate 0.03
    di(2-ethylhexyl) phthalate 0.26
    ethyl propionate 0.2
    nitromethane 0.16
    1,2-diethoxyethane 1.03
    benzonitrile 0.02
    trioctyl phosphate 0.34
    1-bromopropane 0.0
    gamma-valerolactone 2.36
    n-decanol 0.71
    triethyl phosphate 0.28
    4-methyl-2-pentanol 0.28
    propionitrile 0.04
    vinylene carbonate 0.08
    1,1,2-trichlorotrifluoroethane 1.38
    DMS 0.34
    cumene 0.01
    2-octanol 0.73
    2-hexanone 0.05
    octyl acetate 0.51
    limonene 0.05
    1,2-dimethoxyethane 3.52
    ethyl orthosilicate 0.3
    tributyl phosphate 0.24
    diacetone alcohol 3.57
    N,N-dimethylaniline 0.13
    acrylonitrile 0.06
    aniline 0.09
    1,3-propanediol 5.3
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.0
    2-methyl-cyclohexyl acetate 0.18
    tetrabutyl urea 0.64
    diisobutyl methanol 0.21
    2-phenylethanol 0.23
    styrene 0.0
    dioctyl adipate 0.45
    dimethyl sulfate 0.92
    ethyl butyrate 0.28
    methyl lactate 3.6
    butyl lactate 1.32
    diethyl carbonate 0.14
    propanediol butyl ether 5.17
    triethyl orthoformate 0.55
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 1.23
    morpholine 2.13
    tert-butylamine 0.17
    n-dodecanol 0.39
    dimethoxymethane 1.94
    ethylene carbonate 0.07
    cyrene 2.51
    2-ethoxyethyl acetate 0.92
    2-ethylhexyl acetate 0.13
    1,2,4-trichlorobenzene 0.0
    4-methylpyridine 0.05
    dibutyl ether 0.34
    2,6-dimethyl-4-heptanol 0.21
    DEF 1.15
    dimethyl isosorbide 4.0
    tetrachloroethylene 0.0
    eugenol 1.43
    triacetin 0.79
    span 80 3.05
    1,4-butanediol 0.77
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.25
    methyl formate 0.16
    2-methyl-1-butanol 0.75
    n-decane 0.01
    butyronitrile 0.03
    3,7-dimethyl-1-octanol 0.54
    1-chlorooctane 0.04
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.5
    tetrahydropyran 0.11
    tert-amyl methyl ether 0.84
    2,5,8-trioxanonane 7.04
    1-hexene 0.0
    2-isopropoxyethanol 2.35
    2,2,2-trifluoroethanol 0.14
    methyl butyrate 0.2

    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