Biochanin A

Overview IFRA Request a quote

  • Identifiers

    CAS number
    491-80-5

    Molecular formula
    C16H12O5

    SMILES
    COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 60.57%
    Sweet 41.51%
    Odorless 34.63%
    Vanilla 31.45%
    Medicinal 31.26%
    Burnt 31.1%
    Spicy 29.04%
    Smoky 27.13%
    Balsamic 26.85%
    Fruity 26.41%

     

    Flavor
    Bitter 94.82%
    Cedarleaf 19.79%
    Lovage 19.71%
    Parsley 19.71%
    Very strong 19.66%
    Indole 19.44%
    Sweet-like 19.23%
    Nitrile 19.08%
    Ripe apricot 18.98%
    Curry 18.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.89 (weak base)

    Molecular weight
    284.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    607°C

    Flash point

    • 213.89 ˚C est.

  • Synonyms

    • biochanin A
    • 491-80-5
    • Biochanin
    • 5,7-Dihydroxy-4'-methoxyisoflavone
    • 4'-Methylgenistein
    • 5,7-Dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one
    • olmelin
    • 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one
    • Pratensol
    • Biochanine A
    • Genistein 4-methyl ether
    • Biochanin-A
    • DTXSID1022394
    • 5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one
    • NSC123538
    • NSC-123538
    • U13J6U390T
    • 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one
    • DTXCID102394
    • CHEBI:17574
    • Genistein 4-Methylether
    • RefChem:29990
    • 207-744-7
    • CHEBI:8600
    • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-
    • 4-Methylgenistein
    • 5,7-Dihydrox -4'-methoxyisoflavone
    • MFCD00006839
    • Isoflavone, 5,7-dihydroxy-4'-methoxy-
    • 5,7-dihydroxy-4'-methoxy-Isoflavone
    • MLS000069443
    • CHEMBL131921
    • 4'-Methoxy-5,7-dihydroxy isoflavone
    • SMR000059116
    • CAS-491-80-5
    • NSC 123538
    • CCRIS 5449
    • SR-01000003021
    • EINECS 207-744-7
    • Genistein 4'-methyl ether
    • BiochaninA
    • UNII-U13J6U390T
    • abiochanin A
    • Pratensol;
    • QSO
    • Biochanin A, 9
    • Biochanin A (BCA)
    • Biochanin A (BIO)
    • Spectrum_000195
    • Biochanin A (Standard)
    • Opera_ID_621
    • Spectrum2_000047
    • Spectrum3_001098
    • Spectrum4_001927
    • Spectrum5_001624
    • BIOCHANIN A [MI]
    • Genistein 4'-methyl ether;
    • Oprea1_038096
    • SCHEMBL61258
    • BSPBio_002776
    • KBioGR_002274
    • KBioSS_000675
    • MLS001148446
    • MLS006011785
    • BIDD:ER0123
    • BIOCHANIN A [USP-RS]
    • DivK1c_001027
    • SPBio_000173
    • BDBM9461
    • GTPL2829
    • orb1304920
    • SCHEMBL29410271
    • SPECTRUM10100003
    • Biochanin A (4-Methylgenistein)
    • cid_5280373
    • HMS503M15
    • KBio1_001027
    • KBio2_000675
    • KBio2_003243
    • KBio2_005811
    • KBio3_001996
    • NINDS_001027
    • HMS2232N19
    • HMS3369A02
    • HMS3656A13
    • 5,7-Dihydrox-4'-methoxyisoflavone
    • BB_NC-02653
    • TNP00319
    • Isoflavone,7-dihydroxy-4'-methoxy-
    • Tox21_202097
    • Tox21_302901
    • BBL010523
    • CCG-38351
    • HY-14595R
    • LMPK12050229
    • MSK011005
    • s2377
    • STK888295
    • AKOS002163860
    • DB15334
    • EBC-220037
    • FB18604
    • IDI1_001027
    • SMP1_000045
    • NCGC00017369-01
    • NCGC00017369-02
    • NCGC00017369-03
    • NCGC00017369-04
    • NCGC00017369-05
    • NCGC00017369-06
    • NCGC00017369-07
    • NCGC00017369-08
    • NCGC00017369-09
    • NCGC00017369-10
    • NCGC00022428-03
    • NCGC00022428-04
    • NCGC00022428-05
    • NCGC00178478-01
    • NCGC00256458-01
    • NCGC00259646-01
    • AC-22309
    • AS-17474
    • HY-14595
    • NCI60_000558
    • ST057580
    • SY048226
    • Biochanin A, analytical reference material
    • 491-80-5

  • Applications

    Biochanin A (CAS 491-80-5) is an isoflavone mainly encountered in research and product development contexts, and in industry it is commonly used as an intermediate or precursor for the synthesis of isoflavone derivatives; it is studied for antioxidant and anti-inflammatory activity that may be relevant to cosmetic formulations; in pharmaceutical research it is evaluated as a lead compound for the development of isoflavone-based derivatives; in nutraceutical development it may be considered as a dietary isoflavone ingredient for functional foods or supplements; in coatings and specialty polymers it can be used as an additive to improve stability and property profiles of formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.49
    methanol 0.62
    isopropanol 0.92
    water 0.0
    ethyl acetate 1.63
    n-propanol 1.04
    acetone 5.72
    n-butanol 1.03
    acetonitrile 1.56
    DMF 27.29
    toluene 0.25
    isobutanol 0.97
    1,4-dioxane 7.73
    methyl acetate 3.42
    THF 47.46
    2-butanone 7.69
    n-pentanol 1.01
    sec-butanol 1.26
    n-hexane 0.01
    ethylene glycol 1.4
    NMP 23.2
    cyclohexane 0.01
    DMSO 364.23
    n-butyl acetate 2.38
    n-octanol 0.54
    chloroform 0.27
    n-propyl acetate 2.4
    acetic acid 2.99
    dichloromethane 0.35
    cyclohexanone 9.49
    propylene glycol 2.7
    isopropyl acetate 1.58
    DMAc 48.84
    2-ethoxyethanol 10.1
    isopentanol 1.48
    n-heptane 0.02
    ethyl formate 1.32
    1,2-dichloroethane 0.93
    n-hexanol 0.77
    2-methoxyethanol 22.38
    isobutyl acetate 1.72
    tetrachloromethane 0.03
    n-pentyl acetate 1.33
    transcutol 61.58
    n-heptanol 0.65
    ethylbenzene 0.17
    MIBK 2.83
    2-propoxyethanol 13.25
    tert-butanol 2.44
    MTBE 1.19
    2-butoxyethanol 5.03
    propionic acid 2.19
    o-xylene 0.24
    formic acid 1.35
    diethyl ether 0.59
    m-xylene 0.21
    p-xylene 0.3
    chlorobenzene 0.29
    dimethyl carbonate 2.68
    n-octane 0.01
    formamide 4.28
    cyclopentanone 21.69
    2-pentanone 3.65
    anisole 1.59
    cyclopentyl methyl ether 3.87
    gamma-butyrolactone 19.36
    1-methoxy-2-propanol 18.13
    pyridine 4.27
    3-pentanone 2.55
    furfural 15.04
    n-dodecane 0.02
    diethylene glycol 17.31
    diisopropyl ether 0.21
    tert-amyl alcohol 2.0
    acetylacetone 8.27
    n-hexadecane 0.03
    acetophenone 3.01
    methyl propionate 2.94
    isopentyl acetate 3.11
    trichloroethylene 2.17
    n-nonanol 0.68
    cyclohexanol 1.5
    benzyl alcohol 2.16
    2-ethylhexanol 0.82
    isooctanol 0.77
    dipropyl ether 1.21
    1,2-dichlorobenzene 0.42
    ethyl lactate 3.36
    propylene carbonate 4.35
    n-methylformamide 5.55
    2-pentanol 0.73
    n-pentane 0.01
    1-propoxy-2-propanol 9.57
    1-methoxy-2-propyl acetate 7.84
    2-(2-methoxypropoxy) propanol 11.98
    mesitylene 0.14
    ε-caprolactone 7.2
    p-cymene 0.32
    epichlorohydrin 28.71
    1,1,1-trichloroethane 0.44
    2-aminoethanol 2.2
    morpholine-4-carbaldehyde 26.86
    sulfolane 65.36
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 7.25
    n-hexyl acetate 1.93
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 14.07
    sec-butyl acetate 1.65
    tert-butyl acetate 3.25
    decalin 0.02
    glycerin 12.27
    diglyme 32.1
    acrylic acid 3.0
    isopropyl myristate 1.2
    n-butyric acid 2.31
    acetyl acetate 1.47
    di(2-ethylhexyl) phthalate 1.87
    ethyl propionate 2.09
    nitromethane 15.92
    1,2-diethoxyethane 6.56
    benzonitrile 1.71
    trioctyl phosphate 1.13
    1-bromopropane 0.31
    gamma-valerolactone 38.22
    n-decanol 0.57
    triethyl phosphate 2.33
    4-methyl-2-pentanol 0.72
    propionitrile 1.64
    vinylene carbonate 3.25
    1,1,2-trichlorotrifluoroethane 20.03
    DMS 3.67
    cumene 0.17
    2-octanol 0.41
    2-hexanone 3.95
    octyl acetate 1.34
    limonene 0.47
    1,2-dimethoxyethane 20.97
    ethyl orthosilicate 1.91
    tributyl phosphate 1.78
    diacetone alcohol 10.24
    N,N-dimethylaniline 1.3
    acrylonitrile 3.43
    aniline 1.26
    1,3-propanediol 4.98
    bromobenzene 0.21
    dibromomethane 0.18
    1,1,2,2-tetrachloroethane 2.21
    2-methyl-cyclohexyl acetate 2.84
    tetrabutyl urea 3.16
    diisobutyl methanol 0.86
    2-phenylethanol 2.18
    styrene 0.18
    dioctyl adipate 2.83
    dimethyl sulfate 10.81
    ethyl butyrate 2.39
    methyl lactate 6.42
    butyl lactate 2.98
    diethyl carbonate 1.74
    propanediol butyl ether 4.99
    triethyl orthoformate 2.75
    p-tert-butyltoluene 0.32
    methyl 4-tert-butylbenzoate 4.33
    morpholine 14.05
    tert-butylamine 0.54
    n-dodecanol 0.47
    dimethoxymethane 13.97
    ethylene carbonate 2.36
    cyrene 10.92
    2-ethoxyethyl acetate 4.27
    2-ethylhexyl acetate 2.08
    1,2,4-trichlorobenzene 0.87
    4-methylpyridine 3.05
    dibutyl ether 1.23
    2,6-dimethyl-4-heptanol 0.86
    DEF 5.06
    dimethyl isosorbide 22.5
    tetrachloroethylene 0.72
    eugenol 5.15
    triacetin 4.77
    span 80 5.49
    1,4-butanediol 1.45
    1,1-dichloroethane 0.36
    2-methyl-1-pentanol 1.42
    methyl formate 3.8
    2-methyl-1-butanol 1.21
    n-decane 0.03
    butyronitrile 1.28
    3,7-dimethyl-1-octanol 0.95
    1-chlorooctane 0.2
    1-chlorotetradecane 0.13
    n-nonane 0.02
    undecane 0.03
    tert-butylcyclohexane 0.03
    cyclooctane 0.01
    cyclopentanol 2.41
    tetrahydropyran 3.13
    tert-amyl methyl ether 1.31
    2,5,8-trioxanonane 24.35
    1-hexene 0.07
    2-isopropoxyethanol 6.27
    2,2,2-trifluoroethanol 1.36
    methyl butyrate 3.24

    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