Biapigenin

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  • Identifiers

    CAS number
    101140-06-1

    Molecular formula
    C30H18O10

    SMILES
    C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 59.85%
    Odorless 52.91%
    Burnt 33.38%
    Medicinal 27.83%
    Smoky 22.96%
    Bitter 21.91%
    Spicy 21.61%
    Animal 21.03%
    Nutty 19.86%
    Balsamic 19.5%

     

    Flavor
    Bitter 97.23%
    Odorless 23.4%
    Very strong 19.58%
    Sweet-like 19.55%
    Cedarleaf 19.41%
    Nitrile 19.32%
    Indole 19.28%
    Lovage 18.56%
    Rotten 18.46%
    Parsley 18.43%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    9.13 (weak base)

    Molecular weight
    538.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2632°C

    Melting point expt.

    • 259 - 261 °C

    Flash point

    • 324.55 ˚C est.

  • Synonyms

    • 101140-06-1
    • biapigenin
    • DTXSID301318358
    • bi-apigenin
    • RefChem:917156
    • DTXCID301748169
    • 3,8'-Biapigenin
    • 3,8''-biapigenin
    • I3,II8-biapigenin
    • 5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-4H,4'H-[3,8'-bichromene]-4,4'-dione
    • [3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-
    • CHEMBL515252
    • 3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • Biapigenin; I3,II8-Biapigenin
    • 4',4''',5,5'',7,7''-Hexahydroxy-3,8''-biflavone
    • 13,Ii8-Biapigenin
    • 3,8''''-biapigenin
    • MLS000877033
    • SCHEMBL617814
    • MEGxp0_000393
    • orb1684867
    • SCHEMBL29574181
    • ACon1_000118
    • CHEBI:192848
    • cid_10414856
    • HMS2270H19
    • HY-N1799
    • BDBM50259862
    • AKOS022184825
    • I3,II8-Biapigenin, analytical standard
    • DA-49521
    • FS-10070
    • PD151053
    • SMR000440615
    • CS-0017652
    • NS00097322
    • BRD-K19704761-001-01-8
    • B0005-189866
    • 3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • 5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-[3,8'-bi-4H-1-benzopyran]-4,4'-dione, 9CI
    • 5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-4H,4'H-[3,8'-bi-1-benzopyran]-4,4'-dione
    • 101140-06-1

  • Applications

    Biapigenin is a natural flavone primarily studied as a synthetic intermediate for flavonoid derivatives and as a bioactive component evaluated in research contexts. In industrial settings, practical applications are considered modest but include: (i) a synthetic intermediate for the manufacture of flavonoid derivatives, (ii) an analytical standard or reference material for quality control of plant-derived compounds, (iii) a candidate ingredient in cosmetic/personal care formulations due to its antioxidant activity, and (iv) a focus of pharmacological research in drug discovery, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.55
    methanol 1.61
    isopropanol 0.69
    water 0.0
    ethyl acetate 0.4
    n-propanol 1.57
    acetone 0.54
    n-butanol 0.78
    acetonitrile 0.14
    DMF 18.05
    toluene 0.03
    isobutanol 0.47
    1,4-dioxane 1.79
    methyl acetate 0.86
    THF 6.24
    2-butanone 1.96
    n-pentanol 0.33
    sec-butanol 0.9
    n-hexane 0.0
    ethylene glycol 2.1
    NMP 19.53
    cyclohexane 0.0
    DMSO 42.76
    n-butyl acetate 0.31
    n-octanol 0.1
    chloroform 0.03
    n-propyl acetate 0.31
    acetic acid 3.23
    dichloromethane 0.04
    cyclohexanone 1.44
    propylene glycol 4.94
    isopropyl acetate 0.19
    DMAc 21.48
    2-ethoxyethanol 6.14
    isopentanol 0.31
    n-heptane 0.0
    ethyl formate 0.68
    1,2-dichloroethane 0.06
    n-hexanol 0.11
    2-methoxyethanol 22.8
    isobutyl acetate 0.08
    tetrachloromethane 0.0
    n-pentyl acetate 0.25
    transcutol 7.94
    n-heptanol 0.13
    ethylbenzene 0.01
    MIBK 0.17
    2-propoxyethanol 4.76
    tert-butanol 0.27
    MTBE 0.13
    2-butoxyethanol 2.31
    propionic acid 2.08
    o-xylene 0.02
    formic acid 3.44
    diethyl ether 0.18
    m-xylene 0.01
    p-xylene 0.01
    chlorobenzene 0.01
    dimethyl carbonate 0.64
    n-octane 0.0
    formamide 4.95
    cyclopentanone 3.85
    2-pentanone 0.6
    anisole 0.12
    cyclopentyl methyl ether 0.34
    gamma-butyrolactone 5.46
    1-methoxy-2-propanol 12.22
    pyridine 1.25
    3-pentanone 0.37
    furfural 4.61
    n-dodecane 0.0
    diethylene glycol 5.44
    diisopropyl ether 0.01
    tert-amyl alcohol 0.46
    acetylacetone 0.77
    n-hexadecane 0.0
    acetophenone 0.25
    methyl propionate 0.94
    isopentyl acetate 0.21
    trichloroethylene 0.15
    n-nonanol 0.12
    cyclohexanol 0.29
    benzyl alcohol 0.32
    2-ethylhexanol 0.06
    isooctanol 0.08
    dipropyl ether 0.17
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.95
    propylene carbonate 1.01
    n-methylformamide 6.26
    2-pentanol 0.25
    n-pentane 0.0
    1-propoxy-2-propanol 3.17
    1-methoxy-2-propyl acetate 1.32
    2-(2-methoxypropoxy) propanol 2.69
    mesitylene 0.0
    ε-caprolactone 2.2
    p-cymene 0.01
    epichlorohydrin 3.93
    1,1,1-trichloroethane 0.01
    2-aminoethanol 4.34
    morpholine-4-carbaldehyde 18.31
    sulfolane 17.87
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.17
    n-hexyl acetate 0.27
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.32
    sec-butyl acetate 0.14
    tert-butyl acetate 0.19
    decalin 0.0
    glycerin 15.06
    diglyme 5.9
    acrylic acid 2.66
    isopropyl myristate 0.08
    n-butyric acid 1.43
    acetyl acetate 0.16
    di(2-ethylhexyl) phthalate 0.17
    ethyl propionate 0.31
    nitromethane 5.52
    1,2-diethoxyethane 0.62
    benzonitrile 0.1
    trioctyl phosphate 0.13
    1-bromopropane 0.03
    gamma-valerolactone 20.74
    n-decanol 0.08
    triethyl phosphate 0.18
    4-methyl-2-pentanol 0.07
    propionitrile 0.23
    vinylene carbonate 0.83
    1,1,2-trichlorotrifluoroethane 7.93
    DMS 0.34
    cumene 0.01
    2-octanol 0.07
    2-hexanone 0.39
    octyl acetate 0.16
    limonene 0.02
    1,2-dimethoxyethane 5.67
    ethyl orthosilicate 0.15
    tributyl phosphate 0.15
    diacetone alcohol 1.54
    N,N-dimethylaniline 0.08
    acrylonitrile 0.57
    aniline 0.19
    1,3-propanediol 5.45
    bromobenzene 0.01
    dibromomethane 0.02
    1,1,2,2-tetrachloroethane 0.17
    2-methyl-cyclohexyl acetate 0.16
    tetrabutyl urea 0.34
    diisobutyl methanol 0.03
    2-phenylethanol 0.19
    styrene 0.01
    dioctyl adipate 0.27
    dimethyl sulfate 2.07
    ethyl butyrate 0.28
    methyl lactate 3.73
    butyl lactate 0.92
    diethyl carbonate 0.16
    propanediol butyl ether 2.74
    triethyl orthoformate 0.35
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.46
    morpholine 6.23
    tert-butylamine 0.04
    n-dodecanol 0.05
    dimethoxymethane 3.96
    ethylene carbonate 0.52
    cyrene 3.12
    2-ethoxyethyl acetate 0.87
    2-ethylhexyl acetate 0.13
    1,2,4-trichlorobenzene 0.03
    4-methylpyridine 0.51
    dibutyl ether 0.11
    2,6-dimethyl-4-heptanol 0.03
    DEF 1.82
    dimethyl isosorbide 3.22
    tetrachloroethylene 0.07
    eugenol 0.76
    triacetin 0.74
    span 80 1.77
    1,4-butanediol 0.93
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 0.2
    methyl formate 2.82
    2-methyl-1-butanol 0.48
    n-decane 0.0
    butyronitrile 0.19
    3,7-dimethyl-1-octanol 0.07
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.78
    tetrahydropyran 0.66
    tert-amyl methyl ether 0.18
    2,5,8-trioxanonane 3.91
    1-hexene 0.01
    2-isopropoxyethanol 1.81
    2,2,2-trifluoroethanol 0.72
    methyl butyrate 0.58

    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