Scutellarein

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  • Identifiers

    CAS number
    529-53-3

    Molecular formula
    C15H10O6

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 64.02%
    Odorless 56.8%
    Burnt 40.77%
    Medicinal 29.23%
    Smoky 29.13%
    Spicy 23.85%
    Savory 20.65%
    Bitter 19.85%
    Balsamic 19.54%
    Meaty 18.61%

     

    Flavor
    Bitter 93.48%
    Odorless 23.1%
    Sweet-like 21.41%
    Very strong 20.74%
    Mild 20.56%
    Indole 20.47%
    Cedarleaf 20.34%
    Nitrile 20.19%
    Eugenol 20.13%
    Lovage 19.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    9.9 (weak base)

    Molecular weight
    286.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    879°C

    Flash point

    • 238.97 ˚C est.

  • Synonyms

    • Scutellarein
    • 529-53-3
    • 6-Hydroxyapigenin
    • 5,6,7,4'-Tetrahydroxyflavone
    • 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • 4',5,6,7-tetrahydroxyflavone
    • 5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
    • 4',5,6,7-Tetrahydroxyflavanone
    • P460GTI853
    • CHEBI:9062
    • DTXSID40200946
    • 6-hydroxy-apigenin
    • RefChem:931509
    • DTXCID70123437
    • 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
    • SCUTELLARTLN
    • MFCD00017692
    • Scutellarein (>90%)
    • 4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-
    • 6-Hydroxyapigenin;4',5,6,7-Tetrahydroxyflavone
    • Scutellartln?
    • UNII-P460GTI853
    • Scutellarein (Standard)
    • SCUTELLAREIN [MI]
    • CHEMBL55415
    • SCHEMBL142093
    • SCUTELLAREIN [WHO-DD]
    • orb1304329
    • SCHEMBL29692708
    • BDBM23411
    • GTPL12463
    • HY-N0752R
    • Scutellarein, >=98% (HPLC)
    • HY-N0752
    • 6-HYDROXYPELARGIDENON-1465
    • LMPK12111160
    • s9120
    • AKOS015960467
    • CCG-267330
    • CS-5596
    • EBC-459048
    • FS32912
    • NCGC00482644-02
    • AC-11200
    • AC-34252
    • AS-19541
    • DB-050265
    • C3507
    • NS00116303
    • ST50331621
    • 4',5,6,7-Tetrahydroxyflavone,6-hydroxyapigenin
    • 529S533
    • EN300-23012033
    • Q2058351
    • Scutellarein

  • Applications

    Scutellarein, CAS 529-53-3, is a natural flavone primarily used as an intermediate in the synthesis of flavonoid derivatives and related organic compounds in chemical and pharmaceutical applications. In cosmetics and personal care, it is evaluated as a potential antioxidant and can serve as a functional ingredient in skincare formulations. In coatings and paints, scutellarein may be considered as a natural colorant or color additive for coatings and inks, subject to regulatory and safety constraints. It is also studied for bioactive properties in agricultural and food-processing contexts at the research level, assessing its potential to influence plant protection or biological functions. Additional uses concern developing derivatives to optimize material properties or as a starting material in polymer or plastics synthesis, although these areas are primarily in the research stage and depend on local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.37
    methanol 1.84
    isopropanol 6.64
    water 0.01
    ethyl acetate 3.61
    n-propanol 7.88
    acetone 0.34
    n-butanol 7.4
    acetonitrile 0.52
    DMF 21.86
    toluene 0.07
    isobutanol 3.25
    1,4-dioxane 5.74
    methyl acetate 2.89
    THF 41.95
    2-butanone 5.1
    n-pentanol 2.75
    sec-butanol 11.19
    n-hexane 0.0
    ethylene glycol 10.24
    NMP 13.4
    cyclohexane 0.0
    DMSO 136.31
    n-butyl acetate 1.7
    n-octanol 0.65
    chloroform 0.0
    n-propyl acetate 1.95
    acetic acid 3.11
    dichloromethane 0.0
    cyclohexanone 3.63
    propylene glycol 13.27
    isopropyl acetate 3.03
    DMAc 49.83
    2-ethoxyethanol 36.81
    isopentanol 5.19
    n-heptane 0.02
    ethyl formate 1.06
    1,2-dichloroethane 0.01
    n-hexanol 1.18
    2-methoxyethanol 102.3
    isobutyl acetate 0.59
    tetrachloromethane 0.0
    n-pentyl acetate 1.38
    transcutol 75.84
    n-heptanol 1.09
    ethylbenzene 0.06
    MIBK 2.58
    2-propoxyethanol 26.74
    tert-butanol 9.13
    MTBE 2.35
    2-butoxyethanol 9.92
    propionic acid 4.64
    o-xylene 0.1
    formic acid 3.94
    diethyl ether 0.98
    m-xylene 0.08
    p-xylene 0.06
    chlorobenzene 0.01
    dimethyl carbonate 2.66
    n-octane 0.01
    formamide 12.63
    cyclopentanone 8.35
    2-pentanone 3.74
    anisole 0.87
    cyclopentyl methyl ether 3.54
    gamma-butyrolactone 12.83
    1-methoxy-2-propanol 82.04
    pyridine 1.67
    3-pentanone 1.56
    furfural 6.24
    n-dodecane 0.02
    diethylene glycol 35.2
    diisopropyl ether 0.27
    tert-amyl alcohol 9.97
    acetylacetone 6.41
    n-hexadecane 0.02
    acetophenone 1.21
    methyl propionate 5.27
    isopentyl acetate 1.97
    trichloroethylene 0.01
    n-nonanol 0.91
    cyclohexanol 3.09
    benzyl alcohol 1.5
    2-ethylhexanol 0.81
    isooctanol 1.04
    dipropyl ether 1.69
    1,2-dichlorobenzene 0.02
    ethyl lactate 4.57
    propylene carbonate 2.19
    n-methylformamide 8.24
    2-pentanol 5.03
    n-pentane 0.0
    1-propoxy-2-propanol 19.49
    1-methoxy-2-propyl acetate 9.36
    2-(2-methoxypropoxy) propanol 15.76
    mesitylene 0.06
    ε-caprolactone 6.3
    p-cymene 0.15
    epichlorohydrin 8.47
    1,1,1-trichloroethane 0.0
    2-aminoethanol 16.41
    morpholine-4-carbaldehyde 29.36
    sulfolane 31.8
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 9.77
    n-hexyl acetate 1.68
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 23.44
    sec-butyl acetate 1.56
    tert-butyl acetate 4.26
    decalin 0.01
    glycerin 51.74
    diglyme 35.24
    acrylic acid 3.99
    isopropyl myristate 1.15
    n-butyric acid 5.03
    acetyl acetate 1.0
    di(2-ethylhexyl) phthalate 1.24
    ethyl propionate 2.31
    nitromethane 8.53
    1,2-diethoxyethane 7.4
    benzonitrile 0.38
    trioctyl phosphate 1.02
    1-bromopropane 0.01
    gamma-valerolactone 29.02
    n-decanol 0.77
    triethyl phosphate 1.4
    4-methyl-2-pentanol 1.89
    propionitrile 1.01
    vinylene carbonate 1.04
    1,1,2-trichlorotrifluoroethane 10.14
    DMS 2.29
    cumene 0.06
    2-octanol 0.71
    2-hexanone 1.95
    octyl acetate 1.41
    limonene 0.19
    1,2-dimethoxyethane 30.67
    ethyl orthosilicate 1.4
    tributyl phosphate 1.27
    diacetone alcohol 23.7
    N,N-dimethylaniline 0.71
    acrylonitrile 1.58
    aniline 0.77
    1,3-propanediol 33.49
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.03
    2-methyl-cyclohexyl acetate 1.51
    tetrabutyl urea 2.25
    diisobutyl methanol 1.03
    2-phenylethanol 1.52
    styrene 0.04
    dioctyl adipate 2.28
    dimethyl sulfate 6.93
    ethyl butyrate 2.0
    methyl lactate 15.07
    butyl lactate 3.76
    diethyl carbonate 1.07
    propanediol butyl ether 10.78
    triethyl orthoformate 2.75
    p-tert-butyltoluene 0.18
    methyl 4-tert-butylbenzoate 3.61
    morpholine 24.86
    tert-butylamine 1.2
    n-dodecanol 0.6
    dimethoxymethane 19.12
    ethylene carbonate 0.98
    cyrene 11.61
    2-ethoxyethyl acetate 4.6
    2-ethylhexyl acetate 1.1
    1,2,4-trichlorobenzene 0.06
    4-methylpyridine 1.0
    dibutyl ether 1.22
    2,6-dimethyl-4-heptanol 1.03
    DEF 7.75
    dimethyl isosorbide 21.88
    tetrachloroethylene 0.01
    eugenol 4.77
    triacetin 4.24
    span 80 7.48
    1,4-butanediol 5.79
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 2.42
    methyl formate 3.04
    2-methyl-1-butanol 5.5
    n-decane 0.02
    butyronitrile 0.97
    3,7-dimethyl-1-octanol 1.09
    1-chlorooctane 0.08
    1-chlorotetradecane 0.06
    n-nonane 0.01
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 5.57
    tetrahydropyran 2.63
    tert-amyl methyl ether 3.22
    2,5,8-trioxanonane 27.43
    1-hexene 0.02
    2-isopropoxyethanol 16.03
    2,2,2-trifluoroethanol 1.25
    methyl butyrate 2.8

    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