Daidzein

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  • Identifiers

    CAS number
    486-66-8

    Molecular formula
    C15H10O4

    SMILES
    C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 72.92%
    Medicinal 42.11%
    Burnt 39.27%
    Sweet 38.6%
    Nutty 31.53%
    Bitter 30.97%
    Smoky 30.45%
    Odorless 29.5%
    Vanilla 27.64%
    Spicy 27.52%

     

    Flavor
    Bitter 96.26%
    Very strong 20.48%
    Indole 19.9%
    Nitrile 19.56%
    Lovage 19.19%
    Moth ball 19.09%
    Cedarleaf 19.04%
    Naphthelene 18.84%
    Curry 18.63%
    Sweet-like 18.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    9.57 (weak base)

    Molecular weight
    254.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    530°C

    Melting point expt.

    • 323 °C

    Flash point

    • 214.75 ˚C est.

  • Synonyms

    • daidzein
    • 486-66-8
    • 4',7-Dihydroxyisoflavone
    • Daidzeol
    • 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
    • 7,4'-Dihydroxyisoflavone
    • 7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
    • 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
    • 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone
    • DTXSID9022310
    • 6287WC5J2L
    • DTXCID102310
    • CHEBI:28197
    • Diadzein
    • RefChem:5729
    • 207-635-4
    • 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-
    • MFCD00016954
    • 4,7-Dihydroxyisoflavone
    • Daidzein (Standard)
    • 7-Hydroxy-3-(4-hydroxy-phenyl)-chromen-4-one
    • CHEMBL8145
    • 4',7-Dihydroxy-iso-flavone
    • CAS-486-66-8
    • SMR000326832
    • CCRIS 7600
    • K 251b
    • SR-01000075492
    • EINECS 207-635-4
    • BRN 0231523
    • formonometin
    • UNII-6287WC5J2L
    • Isoflavone, 4',7-dihydroxy-
    • NPI 031E
    • Daizeol;
    • isoflavone aglycone
    • Daidzein (DAI)
    • Dimethylbiochanin B;
    • Spectrum_000255
    • Tocris-1417
    • 4'7-dihydroxyisoflavone
    • DAIDZEIN [MI]
    • BiomolKI_000060
    • Spectrum2_000053
    • Spectrum3_000191
    • Spectrum4_001964
    • Spectrum5_000857
    • Lopac-D-7802
    • DAIDZEIN [MART.]
    • 4',7-dihydroxy-isoflavon
    • BiomolKI2_000066
    • DAIDZEIN [USP-RS]
    • DAIDZEIN [WHO-DD]
    • UPCMLD-DP052
    • 4',7-dihydroxy isoflavone
    • 7-HYDROXY-3-(4-HYDROXYPHENYL)CHROMONE
    • 4',7-dihydroxy-Isoflavone
    • Lopac0_000412
    • Oprea1_182317
    • Oprea1_305345
    • SCHEMBL19814
    • BSPBio_001741
    • Daidzein, analytical standard
    • KBioGR_002432
    • KBioSS_000735
    • SPECTRUM200789
    • 5-18-04-00089 (Beilstein Handbook Reference)
    • MLS000859973
    • MLS001304056
    • MLS006011853
    • BIDD:ER0120
    • DivK1c_001023
    • d-(+)-alpha-methylbenzylamine
    • SPBio_000205
    • Daidzein, >=98%, synthetic
    • BMK1-F12
    • GTPL2828
    • MEGxm0_000123
    • NPI-031E
    • orb1309277
    • d-(+)-alpha-methylbenzyl amine
    • SCHEMBL29374778
    • UPCMLD-DP052:001
    • ACon0_001477
    • ACon1_000543
    • BDBM23420
    • HMS503M07
    • HY-N0019R
    • K-251b
    • KBio1_001023
    • KBio2_000735
    • KBio2_003303
    • KBio2_005871
    • KBio3_001241
    • NINDS_001023
    • 7,4'-Dihydroxy-isoflavone (3a)
    • GLXC-06643
    • HMS1922P18
    • HMS2233H24
    • HMS3261C06
    • HMS3267J04
    • HMS3370C03
    • HMS3412O12
    • HMS3468L18
    • HMS3649B20
    • HMS3655A18
    • HMS3676O12
    • HMS5080K15
    • ALBB-015933
    • BB_NC-01016
    • HY-N0019
    • MSK40144
    • Tox21_201444
    • Tox21_303650
    • Tox21_500412
    • BBL010490
    • CCG-38357
    • EBC-06042
    • HB2488
    • LMPK12050038
    • s1849
    • SBB066056
    • STK801626
    • AKOS002385052
    • AC-6035
    • DB13182
    • KS-5260
    • daidzein

  • Applications

    Daidzein (CAS 486-66-8) is primarily used as an intermediate in organic synthesis to prepare isoflavone derivatives and to support general synthetic research; it also serves as an analytical reference standard for quantifying isoflavones in plant extracts, notably soy; the compound is evaluated as a potential antioxidant in cosmetic formulations; in agricultural and plant science, it is used as a reference material to study isoflavone biosynthesis; and in the functional foods/nutraceutical sector, it may be sourced from extracts or used as a starting material for related products, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.39
    methanol 1.29
    isopropanol 2.24
    water 0.0
    ethyl acetate 0.62
    n-propanol 2.37
    acetone 10.09
    n-butanol 2.39
    acetonitrile 1.42
    DMF 13.69
    toluene 0.34
    isobutanol 1.66
    1,4-dioxane 11.23
    methyl acetate 2.45
    THF 56.7
    2-butanone 9.77
    n-pentanol 2.16
    sec-butanol 2.95
    n-hexane 0.01
    ethylene glycol 1.61
    NMP 4.16
    cyclohexane 0.01
    DMSO 116.13
    n-butyl acetate 2.06
    n-octanol 0.75
    chloroform 0.01
    n-propyl acetate 2.14
    acetic acid 2.78
    dichloromethane 0.02
    cyclohexanone 7.39
    propylene glycol 3.12
    isopropyl acetate 1.37
    DMAc 35.97
    2-ethoxyethanol 13.55
    isopentanol 3.07
    n-heptane 0.02
    ethyl formate 1.24
    1,2-dichloroethane 0.13
    n-hexanol 1.32
    2-methoxyethanol 26.47
    isobutyl acetate 1.53
    tetrachloromethane 0.01
    n-pentyl acetate 1.85
    transcutol 85.96
    n-heptanol 1.1
    ethylbenzene 0.28
    MIBK 3.77
    2-propoxyethanol 13.44
    tert-butanol 4.62
    MTBE 2.15
    2-butoxyethanol 7.09
    propionic acid 1.7
    o-xylene 0.31
    formic acid 1.43
    diethyl ether 0.72
    m-xylene 0.25
    p-xylene 0.38
    chlorobenzene 0.13
    dimethyl carbonate 1.46
    n-octane 0.01
    formamide 4.98
    cyclopentanone 12.52
    2-pentanone 3.81
    anisole 2.6
    cyclopentyl methyl ether 2.67
    gamma-butyrolactone 8.59
    1-methoxy-2-propanol 18.42
    pyridine 5.27
    3-pentanone 1.82
    furfural 8.1
    n-dodecane 0.03
    diethylene glycol 14.92
    diisopropyl ether 0.27
    tert-amyl alcohol 4.19
    acetylacetone 6.99
    n-hexadecane 0.04
    acetophenone 3.37
    methyl propionate 1.21
    isopentyl acetate 3.42
    trichloroethylene 0.25
    n-nonanol 1.03
    cyclohexanol 1.98
    benzyl alcohol 3.17
    2-ethylhexanol 1.31
    isooctanol 1.26
    dipropyl ether 1.4
    1,2-dichlorobenzene 0.18
    ethyl lactate 3.07
    propylene carbonate 2.37
    n-methylformamide 4.03
    2-pentanol 1.46
    n-pentane 0.0
    1-propoxy-2-propanol 9.95
    1-methoxy-2-propyl acetate 7.02
    2-(2-methoxypropoxy) propanol 14.26
    mesitylene 0.17
    ε-caprolactone 5.35
    p-cymene 0.48
    epichlorohydrin 14.82
    1,1,1-trichloroethane 0.07
    2-aminoethanol 3.14
    morpholine-4-carbaldehyde 16.32
    sulfolane 17.7
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 7.08
    n-hexyl acetate 2.31
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 19.59
    sec-butyl acetate 1.84
    tert-butyl acetate 3.74
    decalin 0.02
    glycerin 9.5
    diglyme 38.99
    acrylic acid 1.86
    isopropyl myristate 1.74
    n-butyric acid 2.06
    acetyl acetate 0.9
    di(2-ethylhexyl) phthalate 2.19
    ethyl propionate 1.49
    nitromethane 9.02
    1,2-diethoxyethane 11.15
    benzonitrile 1.79
    trioctyl phosphate 1.3
    1-bromopropane 0.07
    gamma-valerolactone 25.91
    n-decanol 0.9
    triethyl phosphate 2.04
    4-methyl-2-pentanol 1.44
    propionitrile 1.61
    vinylene carbonate 1.9
    1,1,2-trichlorotrifluoroethane 8.13
    DMS 2.79
    cumene 0.27
    2-octanol 0.69
    2-hexanone 5.17
    octyl acetate 1.84
    limonene 0.56
    1,2-dimethoxyethane 30.23
    ethyl orthosilicate 1.94
    tributyl phosphate 1.89
    diacetone alcohol 12.07
    N,N-dimethylaniline 1.89
    acrylonitrile 2.73
    aniline 1.51
    1,3-propanediol 7.64
    bromobenzene 0.07
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.28
    2-methyl-cyclohexyl acetate 3.01
    tetrabutyl urea 3.6
    diisobutyl methanol 1.53
    2-phenylethanol 3.24
    styrene 0.27
    dioctyl adipate 3.29
    dimethyl sulfate 3.8
    ethyl butyrate 2.12
    methyl lactate 4.06
    butyl lactate 3.54
    diethyl carbonate 1.52
    propanediol butyl ether 6.72
    triethyl orthoformate 2.89
    p-tert-butyltoluene 0.49
    methyl 4-tert-butylbenzoate 4.97
    morpholine 17.46
    tert-butylamine 1.04
    n-dodecanol 0.78
    dimethoxymethane 12.55
    ethylene carbonate 1.38
    cyrene 8.47
    2-ethoxyethyl acetate 5.6
    2-ethylhexyl acetate 2.09
    1,2,4-trichlorobenzene 0.41
    4-methylpyridine 3.18
    dibutyl ether 2.16
    2,6-dimethyl-4-heptanol 1.53
    DEF 4.06
    dimethyl isosorbide 19.21
    tetrachloroethylene 0.14
    eugenol 6.33
    triacetin 5.08
    span 80 6.88
    1,4-butanediol 2.23
    1,1-dichloroethane 0.04
    2-methyl-1-pentanol 2.89
    methyl formate 2.74
    2-methyl-1-butanol 2.47
    n-decane 0.04
    butyronitrile 1.62
    3,7-dimethyl-1-octanol 1.47
    1-chlorooctane 0.24
    1-chlorotetradecane 0.17
    n-nonane 0.02
    undecane 0.04
    tert-butylcyclohexane 0.03
    cyclooctane 0.0
    cyclopentanol 2.11
    tetrahydropyran 4.41
    tert-amyl methyl ether 2.1
    2,5,8-trioxanonane 28.7
    1-hexene 0.06
    2-isopropoxyethanol 8.54
    2,2,2-trifluoroethanol 0.87
    methyl butyrate 2.81

    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