2'-Hydroxydaidzein

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  • Identifiers

    CAS number
    7678-85-5

    Molecular formula
    C15H10O5

    SMILES
    C1=CC(=C(C=C1O)O)C2=COC3=C(C2=O)C=CC(=C3)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 67.77%
    Odorless 45.39%
    Burnt 38.44%
    Medicinal 33.58%
    Smoky 27.04%
    Bitter 25.73%
    Nutty 25.09%
    Spicy 24.39%
    Vanilla 22.66%
    Musty 21.41%

     

    Flavor
    Bitter 96.46%
    Odorless 21.58%
    Very strong 20.1%
    Indole 19.65%
    Cedarleaf 19.63%
    Sweet-like 19.56%
    Nitrile 19.54%
    Lovage 19.03%
    Rotten 18.87%
    Parsley 18.57%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    10.04 (weak base)

    Molecular weight
    270.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    571°C

    Melting point expt.

    • 275 °C

    Flash point

    • 241.84 ˚C est.

  • Synonyms

    • 2'-Hydroxydaidzein
    • 7678-85-5
    • 2',4',7-trihydroxyisoflavone
    • 3-(2,4-dihydroxyphenyl)-7-hydroxychromen-4-one
    • 3-(2,4-Dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one
    • 4H-1-Benzopyran-4-one, 3-(2,4-dihydroxyphenyl)-7-hydroxy-
    • 4GQ94T5E87
    • CHEBI:27479
    • DTXSID10227589
    • RefChem:80371
    • DTXCID10150080
    • 2',4',7-THIF
    • 3-(2,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one
    • CHEMBL6694
    • 2 inverted exclamation marka-Hydroxydaidzein
    • 2',4',7-Trihydroxyisoflavone; 2'-Hydroxydaidzein; 7,2',4'-Trihydroxyisoflavone
    • 7,2',4'-trihydroxyisoflavone
    • UNII-4GQ94T5E87
    • 2''-hydroxydaidzein
    • SCHEMBL72610
    • SCHEMBL29737520
    • SCHEMBL31134786
    • HY-N1733
    • BDBM50142193
    • LMPK12050083
    • AKOS022184844
    • FH69775
    • FS-9262
    • DA-49264
    • PD199997
    • CS-0017409
    • C02495
    • 3-(2,4-dihydroxyphenyl)-7-hydroxy-chromen-4-one
    • 3-(2,4-Dihydroxy-phenyl)-7-hvdroxy-chromen-4-one
    • 3-(2,4-Dihydroxy-phenyl)-7-hydroxy-chromen-4-one
    • Q27103153
    • 3-(2,4-Dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one, 9CI
    • 7678-85-5

  • Applications

    2'-Hydroxydaidzein (CAS 7678-85-5) is primarily used as an intermediate in the synthesis of isoflavone derivatives for pharmaceutical research and development, and is commonly evaluated as a reference reagent or analytical standard in studies of natural products and phytoestrogens. In cosmetics and personal care formulations, it may be explored for antioxidant activity and skin-beneficial potential in formulations. Its phenolic structure also gives it potential as an antioxidant additive in coatings, inks, or polymer formulations, where it can contribute to stabilization against oxidation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.24
    methanol 1.18
    isopropanol 1.99
    water 0.0
    ethyl acetate 1.21
    n-propanol 2.34
    acetone 1.72
    n-butanol 2.82
    acetonitrile 0.61
    DMF 16.43
    toluene 0.07
    isobutanol 1.39
    1,4-dioxane 5.37
    methyl acetate 1.95
    THF 44.06
    2-butanone 6.85
    n-pentanol 1.56
    sec-butanol 3.14
    n-hexane 0.0
    ethylene glycol 1.21
    NMP 8.55
    cyclohexane 0.0
    DMSO 120.5
    n-butyl acetate 1.6
    n-octanol 0.46
    chloroform 0.0
    n-propyl acetate 1.72
    acetic acid 1.54
    dichloromethane 0.0
    cyclohexanone 5.42
    propylene glycol 1.8
    isopropyl acetate 1.37
    DMAc 37.9
    2-ethoxyethanol 13.16
    isopentanol 2.75
    n-heptane 0.01
    ethyl formate 0.88
    1,2-dichloroethane 0.02
    n-hexanol 0.83
    2-methoxyethanol 31.0
    isobutyl acetate 0.63
    tetrachloromethane 0.0
    n-pentyl acetate 1.0
    transcutol 34.1
    n-heptanol 0.67
    ethylbenzene 0.08
    MIBK 2.36
    2-propoxyethanol 13.53
    tert-butanol 3.54
    MTBE 1.34
    2-butoxyethanol 5.38
    propionic acid 1.25
    o-xylene 0.1
    formic acid 1.22
    diethyl ether 0.55
    m-xylene 0.07
    p-xylene 0.1
    chlorobenzene 0.02
    dimethyl carbonate 1.12
    n-octane 0.0
    formamide 4.34
    cyclopentanone 10.89
    2-pentanone 3.44
    anisole 0.93
    cyclopentyl methyl ether 2.27
    gamma-butyrolactone 8.5
    1-methoxy-2-propanol 21.75
    pyridine 1.91
    3-pentanone 1.42
    furfural 5.5
    n-dodecane 0.01
    diethylene glycol 13.04
    diisopropyl ether 0.14
    tert-amyl alcohol 3.74
    acetylacetone 4.49
    n-hexadecane 0.01
    acetophenone 1.57
    methyl propionate 1.8
    isopentyl acetate 2.12
    trichloroethylene 0.03
    n-nonanol 0.65
    cyclohexanol 1.54
    benzyl alcohol 1.37
    2-ethylhexanol 0.74
    isooctanol 0.71
    dipropyl ether 0.96
    1,2-dichlorobenzene 0.03
    ethyl lactate 2.22
    propylene carbonate 1.61
    n-methylformamide 4.4
    2-pentanol 1.48
    n-pentane 0.0
    1-propoxy-2-propanol 9.2
    1-methoxy-2-propyl acetate 5.41
    2-(2-methoxypropoxy) propanol 8.87
    mesitylene 0.05
    ε-caprolactone 5.21
    p-cymene 0.16
    epichlorohydrin 8.64
    1,1,1-trichloroethane 0.01
    2-aminoethanol 2.63
    morpholine-4-carbaldehyde 16.49
    sulfolane 21.16
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 6.87
    n-hexyl acetate 1.34
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 11.63
    sec-butyl acetate 1.31
    tert-butyl acetate 2.46
    decalin 0.01
    glycerin 7.42
    diglyme 23.37
    acrylic acid 1.18
    isopropyl myristate 0.84
    n-butyric acid 2.09
    acetyl acetate 0.58
    di(2-ethylhexyl) phthalate 1.01
    ethyl propionate 1.64
    nitromethane 5.88
    1,2-diethoxyethane 4.68
    benzonitrile 0.54
    trioctyl phosphate 0.72
    1-bromopropane 0.02
    gamma-valerolactone 25.42
    n-decanol 0.53
    triethyl phosphate 1.37
    4-methyl-2-pentanol 0.96
    propionitrile 0.97
    vinylene carbonate 1.0
    1,1,2-trichlorotrifluoroethane 5.48
    DMS 1.41
    cumene 0.07
    2-octanol 0.41
    2-hexanone 3.07
    octyl acetate 0.97
    limonene 0.21
    1,2-dimethoxyethane 25.06
    ethyl orthosilicate 1.27
    tributyl phosphate 1.0
    diacetone alcohol 10.52
    N,N-dimethylaniline 0.74
    acrylonitrile 1.51
    aniline 0.58
    1,3-propanediol 8.05
    bromobenzene 0.01
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.04
    2-methyl-cyclohexyl acetate 1.6
    tetrabutyl urea 2.08
    diisobutyl methanol 0.78
    2-phenylethanol 1.41
    styrene 0.06
    dioctyl adipate 1.67
    dimethyl sulfate 3.43
    ethyl butyrate 1.75
    methyl lactate 4.17
    butyl lactate 2.13
    diethyl carbonate 0.97
    propanediol butyl ether 4.28
    triethyl orthoformate 2.11
    p-tert-butyltoluene 0.17
    methyl 4-tert-butylbenzoate 2.62
    morpholine 15.75
    tert-butylamine 0.55
    n-dodecanol 0.4
    dimethoxymethane 10.9
    ethylene carbonate 0.85
    cyrene 6.41
    2-ethoxyethyl acetate 2.76
    2-ethylhexyl acetate 1.28
    1,2,4-trichlorobenzene 0.09
    4-methylpyridine 1.39
    dibutyl ether 0.97
    2,6-dimethyl-4-heptanol 0.78
    DEF 5.59
    dimethyl isosorbide 13.77
    tetrachloroethylene 0.02
    eugenol 3.27
    triacetin 2.49
    span 80 3.91
    1,4-butanediol 1.52
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 1.77
    methyl formate 2.04
    2-methyl-1-butanol 2.49
    n-decane 0.01
    butyronitrile 1.08
    3,7-dimethyl-1-octanol 0.8
    1-chlorooctane 0.08
    1-chlorotetradecane 0.05
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 2.02
    tetrahydropyran 2.33
    tert-amyl methyl ether 1.69
    2,5,8-trioxanonane 16.8
    1-hexene 0.02
    2-isopropoxyethanol 6.65
    2,2,2-trifluoroethanol 0.54
    methyl butyrate 2.86

    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