Baicalein

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  • Identifiers

    CAS number
    491-67-8

    Molecular formula
    C15H10O5

    SMILES
    C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 55.14%
    Phenolic 53.74%
    Burnt 39.59%
    Smoky 25.2%
    Medicinal 24.62%
    Spicy 23.41%
    Balsamic 20.46%
    Bitter 19.49%
    Savory 19.31%
    Dry 17.21%

     

    Flavor
    Bitter 93.01%
    Sweet-like 20.59%
    Very strong 20.55%
    Cedarleaf 20.29%
    Indole 20.28%
    Nitrile 20.21%
    Lovage 20.13%
    Curry 20.04%
    Odorless 20.0%
    Eugenol 19.83%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    9.29 (weak base)

    Molecular weight
    270.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    803°C

    Flash point

    • 211.54 ˚C est.

  • Synonyms

    • baicalein
    • 491-67-8
    • 5,6,7-Trihydroxyflavone
    • Noroxylin
    • 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one
    • 5,6,7-trihydroxy-2-phenylchromen-4-one
    • 5,6,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one
    • NSC-661431
    • DTXSID2022389
    • 49QAH60606
    • CHEBI:2979
    • RefChem:5579
    • DTXCID802389
    • 637-183-7
    • MFCD00017459
    • 5,6,7-trihydroxy-2-phenyl-chromen-4-one
    • 4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-2-phenyl-
    • NSC661431
    • CHEMBL8260
    • 5,7-Trihydroxyflavone
    • Biacalein
    • BaiKalein
    • SMR000112462
    • SR-01000597499
    • NSC 661431
    • Baicalein;
    • Sho-saiko-to
    • UNII-49QAH60606
    • Baicalein, 8
    • 3WL
    • Baicalein, 14
    • Baicalein, 98%
    • Baicalein (Standard)
    • Baicalein (Noroxylin)
    • Spectrum_000427
    • Tocris-1761
    • SpecPlus_000758
    • BAICALEIN [MI]
    • Spectrum2_000466
    • Spectrum3_001608
    • Spectrum4_000537
    • Spectrum5_001418
    • 5,6,7-trihydroxy flavone
    • BAICALEIN [USP-RS]
    • BAICALEIN [WHO-DD]
    • Oprea1_765614
    • BSPBio_003215
    • KBioGR_001173
    • KBioSS_000907
    • MLS002473007
    • MLS006011756
    • BIDD:ER0121
    • DivK1c_006854
    • SCHEMBL139617
    • SPECTRUM1504002
    • SPBio_000572
    • GTPL5144
    • SCHEMBL29385549
    • HY-N0196R
    • KBio1_001798
    • KBio2_000907
    • KBio2_003475
    • KBio2_006043
    • KBio3_002435
    • BAICALEIN(SH)NOW RG GRADE
    • HMS1922O22
    • HMS2267F15
    • HMS3268C22
    • HMS3412F14
    • HMS3649O19
    • HMS3655P18
    • HMS3676F14
    • HMS5080M22
    • ALBB-028286
    • BB_NC-02641
    • HY-N0196
    • SAI_0006
    • TNP00121
    • BBL027840
    • BDBM50009001
    • CCG-38705
    • EBC-11085
    • LMPK12111095
    • NSC729192
    • s2268
    • SBB067246
    • STL146746
    • AKOS005747014
    • AC-7991
    • CS-6159
    • FT66348
    • NSC-729192
    • SDCCGMLS-0066744.P001
    • Baicalein, analytical reference material
    • SMP1_000037
    • NCGC00017236-01
    • NCGC00017236-02
    • NCGC00017236-03
    • NCGC00017236-04
    • NCGC00017236-05
    • NCGC00017236-06
    • NCGC00017236-07
    • NCGC00017236-08
    • NCGC00017236-10
    • NCGC00017236-11
    • NCGC00017236-21
    • NCGC00025282-01
    • NCGC00025282-02
    • NCGC00025282-03
    • NCGC00025282-04
    • NCGC00178204-01
    • AS-57923
    • PD132943
    • ST057152
    • SY057137
    • 5,6,7-Trihydroxy-2-phenyl-chroman-4-one
    • NS00097437
    • SW219229-1
    • T2721
    • EN300-303171
    • S00113
    • 491B678
    • 5,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one
    • AA-504/20839002
    • F979938
    • Q2879363
    • SR-01000597499-1
    • 491-67-8

  • Applications

    Baicalein (CAS 491-67-8) is a natural flavone encountered in traditional medicinal plants and used across several industries as a bioactive reference and research material. In cosmetics and personal care, it is commonly evaluated as a natural antioxidant and bioactive ingredient for skin formulations. In pharmaceutical and medicinal chemistry contexts, it is frequently used as an isolated natural product lead or scaffold and as an intermediate for synthesizing derivatives in drug discovery research. In agricultural and crop-protection research, baicalein is studied for antimicrobial properties and potential plant-protection applications. It is also used as an analytical reference standard and starting material in natural-product chemistry, supporting method development and quality control in natural products programs. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.01
    methanol 2.43
    isopropanol 5.23
    water 0.0
    ethyl acetate 4.02
    n-propanol 6.7
    acetone 2.98
    n-butanol 5.98
    acetonitrile 1.14
    DMF 28.14
    toluene 0.41
    isobutanol 3.88
    1,4-dioxane 8.38
    methyl acetate 4.98
    THF 74.61
    2-butanone 10.78
    n-pentanol 3.03
    sec-butanol 8.37
    n-hexane 0.0
    ethylene glycol 6.04
    NMP 19.62
    cyclohexane 0.01
    DMSO 182.81
    n-butyl acetate 3.29
    n-octanol 1.2
    chloroform 0.01
    n-propyl acetate 3.06
    acetic acid 4.72
    dichloromethane 0.02
    cyclohexanone 9.19
    propylene glycol 7.61
    isopropyl acetate 4.19
    DMAc 53.67
    2-ethoxyethanol 20.46
    isopentanol 5.69
    n-heptane 0.02
    ethyl formate 1.59
    1,2-dichloroethane 0.16
    n-hexanol 2.43
    2-methoxyethanol 62.62
    isobutyl acetate 1.5
    tetrachloromethane 0.01
    n-pentyl acetate 2.61
    transcutol 82.36
    n-heptanol 1.75
    ethylbenzene 0.27
    MIBK 5.02
    2-propoxyethanol 21.55
    tert-butanol 8.89
    MTBE 3.93
    2-butoxyethanol 9.79
    propionic acid 5.12
    o-xylene 0.46
    formic acid 3.48
    diethyl ether 1.74
    m-xylene 0.38
    p-xylene 0.29
    chlorobenzene 0.13
    dimethyl carbonate 3.91
    n-octane 0.01
    formamide 10.92
    cyclopentanone 20.31
    2-pentanone 6.44
    anisole 2.34
    cyclopentyl methyl ether 8.65
    gamma-butyrolactone 20.82
    1-methoxy-2-propanol 47.46
    pyridine 5.69
    3-pentanone 3.33
    furfural 10.75
    n-dodecane 0.04
    diethylene glycol 26.1
    diisopropyl ether 0.59
    tert-amyl alcohol 9.71
    acetylacetone 11.03
    n-hexadecane 0.05
    acetophenone 3.46
    methyl propionate 6.1
    isopentyl acetate 4.15
    trichloroethylene 0.27
    n-nonanol 1.6
    cyclohexanol 4.71
    benzyl alcohol 3.43
    2-ethylhexanol 1.82
    isooctanol 1.76
    dipropyl ether 2.29
    1,2-dichlorobenzene 0.19
    ethyl lactate 4.92
    propylene carbonate 4.32
    n-methylformamide 8.51
    2-pentanol 4.68
    n-pentane 0.01
    1-propoxy-2-propanol 16.44
    1-methoxy-2-propyl acetate 13.18
    2-(2-methoxypropoxy) propanol 15.85
    mesitylene 0.24
    ε-caprolactone 9.67
    p-cymene 0.6
    epichlorohydrin 25.4
    1,1,1-trichloroethane 0.07
    2-aminoethanol 10.29
    morpholine-4-carbaldehyde 26.9
    sulfolane 49.26
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 16.76
    n-hexyl acetate 3.36
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 21.37
    sec-butyl acetate 2.86
    tert-butyl acetate 7.07
    decalin 0.03
    glycerin 26.36
    diglyme 36.84
    acrylic acid 4.91
    isopropyl myristate 2.09
    n-butyric acid 5.38
    acetyl acetate 2.06
    di(2-ethylhexyl) phthalate 2.27
    ethyl propionate 3.42
    nitromethane 12.73
    1,2-diethoxyethane 9.81
    benzonitrile 1.51
    trioctyl phosphate 1.64
    1-bromopropane 0.11
    gamma-valerolactone 33.59
    n-decanol 1.33
    triethyl phosphate 2.65
    4-methyl-2-pentanol 2.78
    propionitrile 2.28
    vinylene carbonate 2.68
    1,1,2-trichlorotrifluoroethane 16.24
    DMS 5.03
    cumene 0.26
    2-octanol 1.17
    2-hexanone 4.08
    octyl acetate 2.34
    limonene 0.79
    1,2-dimethoxyethane 25.94
    ethyl orthosilicate 2.47
    tributyl phosphate 2.07
    diacetone alcohol 23.9
    N,N-dimethylaniline 1.84
    acrylonitrile 3.59
    aniline 2.85
    1,3-propanediol 20.27
    bromobenzene 0.07
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.42
    2-methyl-cyclohexyl acetate 3.04
    tetrabutyl urea 3.5
    diisobutyl methanol 2.02
    2-phenylethanol 3.97
    styrene 0.23
    dioctyl adipate 3.51
    dimethyl sulfate 11.45
    ethyl butyrate 3.24
    methyl lactate 12.56
    butyl lactate 5.02
    diethyl carbonate 2.12
    propanediol butyl ether 10.11
    triethyl orthoformate 4.07
    p-tert-butyltoluene 0.66
    methyl 4-tert-butylbenzoate 6.18
    morpholine 24.54
    tert-butylamine 2.03
    n-dodecanol 1.02
    dimethoxymethane 22.09
    ethylene carbonate 2.1
    cyrene 11.84
    2-ethoxyethyl acetate 6.76
    2-ethylhexyl acetate 2.58
    1,2,4-trichlorobenzene 0.49
    4-methylpyridine 4.07
    dibutyl ether 2.18
    2,6-dimethyl-4-heptanol 2.02
    DEF 9.8
    dimethyl isosorbide 24.76
    tetrachloroethylene 0.18
    eugenol 6.98
    triacetin 6.54
    span 80 8.8
    1,4-butanediol 3.59
    1,1-dichloroethane 0.05
    2-methyl-1-pentanol 3.79
    methyl formate 3.94
    2-methyl-1-butanol 5.82
    n-decane 0.05
    butyronitrile 1.92
    3,7-dimethyl-1-octanol 2.01
    1-chlorooctane 0.3
    1-chlorotetradecane 0.19
    n-nonane 0.03
    undecane 0.04
    tert-butylcyclohexane 0.03
    cyclooctane 0.01
    cyclopentanol 6.81
    tetrahydropyran 5.86
    tert-amyl methyl ether 5.0
    2,5,8-trioxanonane 28.33
    1-hexene 0.06
    2-isopropoxyethanol 11.92
    2,2,2-trifluoroethanol 1.6
    methyl butyrate 4.1

    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