(+-)-Dihydrodaidzein

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  • Identifiers

    CAS number
    17238-05-0

    Molecular formula
    C15H12O4

    SMILES
    C1C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 65.91%
    Sweet 52.89%
    Spicy 41.4%
    Vanilla 36.09%
    Medicinal 35.5%
    Nutty 33.05%
    Coconut 32.63%
    Coumarinic 31.38%
    Bitter 31.06%
    Balsamic 30.7%

     

    Flavor
    Bitter 93.53%
    Lovage 20.86%
    Cedarleaf 20.28%
    Sweet-like 19.86%
    Very strong 19.73%
    Nitrile 19.54%
    Indole 19.53%
    Parsley 19.23%
    Ripe apricot 19.2%
    Red fruit 18.89%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    10.53 (weak base)

    Molecular weight
    256.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    540°C

    Melting point expt.

    • 250 °C

    Flash point

    • 228.79 ˚C est.

  • Synonyms

    • dihydrodaidzein
    • 17238-05-0
    • 7,4'-Dihydroxyisoflavanone
    • CHEBI:75842
    • DTXSID70912308
    • (+-)-Dihydrodaidzein
    • RefChem:546552
    • GlyTouCan:G39272CK
    • DTXCID601341330
    • G39272CK
    • Dihydro Daidzein
    • 7-hydroxy-3-(4-hydroxyphenyl)chroman-4-one
    • (+/-)-Dihydrodaidzein
    • 4',7-Dihydroxyisoflavanone
    • Dihydrodaidzein (keto)
    • 7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
    • MFCD00210494
    • 2,3-dihydro-7-hydroxy-3-(4-hydroxyphenyl)-4H-1-Benzopyran-4-one
    • (R)-23-Dihydro-7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
    • Isoflavanone, 4',7-dihydroxy-
    • 4',7-dihydroxy-Isoflavanone
    • SCHEMBL131543
    • orb1297395
    • S-2,3-dihydro-7-hydroxy-3-(4-hydroxyphenyl)-4H-1-Benzopyran-4-one
    • SCHEMBL16152440
    • 7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
    • EKB55975
    • HY-N1461
    • 7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
    • LMPK12050447
    • AKOS016006054
    • EBC-616197
    • 7-Hydroxy-3-(4-hydroxyphenyl)-4-chromanone
    • CS-0016908
    • D4239
    • NS00116126
    • ( inverted exclamation mark_)-Dihydrodaidzein
    • C90417
    • Q27145588
    • 7-Hydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
    • 17238-05-0

  • Applications

    (+-)-Dihydrodaidzein, CAS 17238-05-0, is primarily used as an intermediate and building block for the synthesis of isoflavone derivatives in pharmaceutical research, supporting structure–activity relationship studies and the development of related compounds. It also serves in biochemical and enzymatic investigations as a substrate for hydrogenation or biocatalytic transformations involving isoflavonoids. In analytical chemistry, it can be employed as a reference standard or internal standard for quantifying isoflavones in plant-derived materials and food products by LC-MS or HPLC. Additionally, it may function as a precursor for more complex isoflavonoid pathways and is evaluated in synthetic methodology development for future derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.25
    methanol 36.97
    isopropanol 46.33
    water 0.08
    ethyl acetate 34.51
    n-propanol 23.36
    acetone 146.76
    n-butanol 23.99
    acetonitrile 76.31
    DMF 97.61
    toluene 5.61
    isobutanol 20.0
    1,4-dioxane 187.57
    methyl acetate 62.15
    THF 382.29
    2-butanone 108.92
    n-pentanol 24.6
    sec-butanol 27.0
    n-hexane 0.07
    ethylene glycol 21.71
    NMP 21.51
    cyclohexane 0.18
    DMSO 624.37
    n-butyl acetate 16.89
    n-octanol 8.51
    chloroform 5.3
    n-propyl acetate 26.78
    acetic acid 35.81
    dichloromethane 3.87
    cyclohexanone 67.88
    propylene glycol 36.06
    isopropyl acetate 27.06
    DMAc 178.52
    2-ethoxyethanol 117.41
    isopentanol 27.65
    n-heptane 0.4
    ethyl formate 26.14
    1,2-dichloroethane 9.39
    n-hexanol 14.36
    2-methoxyethanol 179.78
    isobutyl acetate 15.17
    tetrachloromethane 0.79
    n-pentyl acetate 11.48
    transcutol 296.17
    n-heptanol 8.47
    ethylbenzene 3.08
    MIBK 37.27
    2-propoxyethanol 87.51
    tert-butanol 79.68
    MTBE 23.73
    2-butoxyethanol 33.34
    propionic acid 23.88
    o-xylene 4.45
    formic acid 20.9
    diethyl ether 15.86
    m-xylene 4.31
    p-xylene 4.28
    chlorobenzene 4.71
    dimethyl carbonate 33.36
    n-octane 0.22
    formamide 70.25
    cyclopentanone 94.31
    2-pentanone 60.54
    anisole 25.78
    cyclopentyl methyl ether 32.61
    gamma-butyrolactone 78.54
    1-methoxy-2-propanol 150.49
    pyridine 37.16
    3-pentanone 38.86
    furfural 60.54
    n-dodecane 0.54
    diethylene glycol 101.56
    diisopropyl ether 5.27
    tert-amyl alcohol 35.63
    acetylacetone 102.05
    n-hexadecane 0.63
    acetophenone 25.0
    methyl propionate 38.87
    isopentyl acetate 18.97
    trichloroethylene 19.93
    n-nonanol 10.0
    cyclohexanol 23.8
    benzyl alcohol 26.03
    2-ethylhexanol 9.92
    isooctanol 8.35
    dipropyl ether 15.72
    1,2-dichlorobenzene 5.17
    ethyl lactate 26.82
    propylene carbonate 24.93
    n-methylformamide 59.23
    2-pentanol 20.04
    n-pentane 0.07
    1-propoxy-2-propanol 55.82
    1-methoxy-2-propyl acetate 43.19
    2-(2-methoxypropoxy) propanol 53.78
    mesitylene 3.23
    ε-caprolactone 37.49
    p-cymene 4.0
    epichlorohydrin 127.04
    1,1,1-trichloroethane 7.16
    2-aminoethanol 33.4
    morpholine-4-carbaldehyde 95.68
    sulfolane 102.25
    2,2,4-trimethylpentane 0.26
    2-methyltetrahydrofuran 57.6
    n-hexyl acetate 17.24
    isooctane 0.27
    2-(2-butoxyethoxy)ethanol 74.98
    sec-butyl acetate 17.06
    tert-butyl acetate 35.9
    decalin 0.35
    glycerin 70.71
    diglyme 153.68
    acrylic acid 23.83
    isopropyl myristate 11.14
    n-butyric acid 31.86
    acetyl acetate 25.21
    di(2-ethylhexyl) phthalate 11.74
    ethyl propionate 24.29
    nitromethane 165.81
    1,2-diethoxyethane 58.89
    benzonitrile 21.67
    trioctyl phosphate 8.47
    1-bromopropane 2.54
    gamma-valerolactone 127.56
    n-decanol 8.43
    triethyl phosphate 14.46
    4-methyl-2-pentanol 13.72
    propionitrile 50.81
    vinylene carbonate 25.08
    1,1,2-trichlorotrifluoroethane 63.77
    DMS 25.34
    cumene 2.58
    2-octanol 5.89
    2-hexanone 38.49
    octyl acetate 12.38
    limonene 5.25
    1,2-dimethoxyethane 202.32
    ethyl orthosilicate 13.24
    tributyl phosphate 11.41
    diacetone alcohol 68.46
    N,N-dimethylaniline 14.2
    acrylonitrile 67.06
    aniline 18.44
    1,3-propanediol 67.7
    bromobenzene 3.32
    dibromomethane 1.76
    1,1,2,2-tetrachloroethane 20.66
    2-methyl-cyclohexyl acetate 18.06
    tetrabutyl urea 18.82
    diisobutyl methanol 9.36
    2-phenylethanol 22.06
    styrene 3.69
    dioctyl adipate 18.21
    dimethyl sulfate 51.4
    ethyl butyrate 18.21
    methyl lactate 46.82
    butyl lactate 17.05
    diethyl carbonate 15.21
    propanediol butyl ether 35.0
    triethyl orthoformate 18.88
    p-tert-butyltoluene 4.05
    methyl 4-tert-butylbenzoate 24.06
    morpholine 166.52
    tert-butylamine 15.71
    n-dodecanol 7.07
    dimethoxymethane 169.64
    ethylene carbonate 24.98
    cyrene 40.41
    2-ethoxyethyl acetate 28.32
    2-ethylhexyl acetate 12.86
    1,2,4-trichlorobenzene 8.35
    4-methylpyridine 29.2
    dibutyl ether 14.65
    2,6-dimethyl-4-heptanol 9.36
    DEF 42.2
    dimethyl isosorbide 77.3
    tetrachloroethylene 8.98
    eugenol 28.01
    triacetin 31.72
    span 80 27.61
    1,4-butanediol 30.46
    1,1-dichloroethane 6.53
    2-methyl-1-pentanol 18.86
    methyl formate 52.31
    2-methyl-1-butanol 20.1
    n-decane 0.72
    butyronitrile 30.09
    3,7-dimethyl-1-octanol 11.53
    1-chlorooctane 3.58
    1-chlorotetradecane 2.03
    n-nonane 0.48
    undecane 0.62
    tert-butylcyclohexane 0.36
    cyclooctane 0.14
    cyclopentanol 27.57
    tetrahydropyran 65.54
    tert-amyl methyl ether 17.24
    2,5,8-trioxanonane 115.98
    1-hexene 0.56
    2-isopropoxyethanol 67.43
    2,2,2-trifluoroethanol 18.51
    methyl butyrate 31.33

    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