Daidzin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    552-66-9

    Molecular formula
    C21H20O9

    SMILES
    C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 58.05%
    Sweet 40.98%
    Vanilla 39.66%
    Phenolic 34.69%
    Bitter 25.51%
    Creamy 22.76%
    Balsamic 22.27%
    Spicy 21.82%
    Milky 21.67%
    Burnt 21.13%

     

    Flavor
    Bitter 89.32%
    Bland 27.91%
    Odorless 27.77%
    Sweet-like 24.34%
    Cedarleaf 20.13%
    Lovage 19.44%
    Parsley 19.11%
    Nitrile 18.68%
    Ethyl benzoate 18.64%
    Eugenol 18.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    7.7 (neutral)

    Molecular weight
    416.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2390°C

    Melting point expt.

    • 233 - 235 °C

    Flash point

    • 286.49 ˚C est.

  • Synonyms

    • Daidzin
    • 552-66-9
    • Daidzoside
    • Daidzein 7-O-glucoside
    • Daidzein 7-glucoside
    • Daidzein-7-glucoside
    • daidzein 7-O-beta-D-glucoside
    • 4R2X91A5M5
    • 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    • CHEBI:42202
    • 3-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
    • 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-chromen-4-one
    • 7-O-glucosyl-4'-hydroxyisoflavone
    • 3-(4-hydroxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-4H-chromen-4-one
    • 3-(4-hydroxyphenyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one
    • RefChem:34445
    • 611-245-3
    • MFCD00017466
    • 3-(4-hydroxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
    • 7-(beta-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
    • DZN
    • daidzein-7-o-glucoside
    • 3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside
    • BRN 0059741
    • UNII-4R2X91A5M5
    • NPI 031D
    • Daidzin?
    • 2vle
    • DTXSID00862180
    • Daidzin (Standard)
    • DAIDZIN [USP-RS]
    • Daidzin, analytical standard
    • 4-18-00-01808 (Beilstein Handbook Reference)
    • MLS006010640
    • BIDD:ER0154
    • DAIDZEIN DAIDZIN [MI]
    • SCHEMBL315373
    • CHEMBL486422
    • MEGxp0_000530
    • orb1304870
    • SCHEMBL30600131
    • ACon1_002092
    • HY-N0018R
    • Daidzein 7-O-?-D-glucopyranoside
    • HMS6018B10
    • Daidzin, >=95.0% (HPLC)
    • HY-N0018
    • MSK40178
    • Daidzein 7-O-beta-D-glucopyranoside
    • BDBM50409029
    • STL565871
    • CCG-208383
    • CS-4237
    • DB02115
    • EBC-616327
    • MD08124
    • DAIDZEIN 7-O-.BETA.-D-GLUCOSIDE
    • NCGC00163532-02
    • NCGC00163532-03
    • NCGC00179839-01
    • 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
    • 7,4a(2)-Dihydroxyisoflavone 7-glucoside
    • AS-35078
    • SMR001833087
    • SY076170
    • NS00007687
    • 4',7-Dihydroxyisoflavone 7-O-b-D-glucopyranoside
    • 552D669
    • AN-706/21186124
    • DAIDZIN (CONSTITUENT OF ASTRAGALUS) [DSC]
    • F050697
    • Q3814656
    • DAIDZIN (CONSTITUENT OF SOY ISOFLAVONES) [DSC]
    • 4',7-DIHYDROXYISOFLAVONE; 7-O-B-D-GLUCOPYRANOSIDE
    • Daidzin, United States Pharmacopeia (USP) Reference Standard
    • 7-(?-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-benzopyran-4-one
    • 3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside
    • Daidzin

  • Applications

    Daidzin (CAS 552-66-9) is an isoflavone glycoside isolated from Kudzu (Pueraria lobata). In practical use, it is mainly employed in pharmaceutical and biochemical research as a tool to study isoflavone biology and potential roles in pathways related to alcohol consumption, including investigation of aldehyde dehydrogenase enzymes (ALDH2) and effects on ethanol metabolism and related behaviors. It also serves as a precursor and starting point for the synthesis of other isoflavone glycoside derivatives in natural product chemistry. In analytical laboratories, daidzin is used as a reference compound for developing and calibrating methods such as HPLC/LC-MS analyses of Kudzu extracts. Additionally, it appears in botanical/natural product research on Kudzu-derived materials and can provide a basis for further glycosylated derivatives for phytochemical exploration, with regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.47
    methanol 2.44
    isopropanol 1.23
    water 0.07
    ethyl acetate 0.06
    n-propanol 2.17
    acetone 1.34
    n-butanol 0.93
    acetonitrile 0.1
    DMF 13.19
    toluene 0.04
    isobutanol 0.5
    1,4-dioxane 3.24
    methyl acetate 0.16
    THF 16.94
    2-butanone 0.83
    n-pentanol 0.43
    sec-butanol 0.85
    n-hexane 0.0
    ethylene glycol 7.11
    NMP 4.9
    cyclohexane 0.0
    DMSO 64.65
    n-butyl acetate 0.03
    n-octanol 0.35
    chloroform 0.0
    n-propyl acetate 0.05
    acetic acid 3.34
    dichloromethane 0.01
    cyclohexanone 0.96
    propylene glycol 6.4
    isopropyl acetate 0.05
    DMAc 12.78
    2-ethoxyethanol 9.55
    isopentanol 0.37
    n-heptane 0.01
    ethyl formate 0.16
    1,2-dichloroethane 0.02
    n-hexanol 0.14
    2-methoxyethanol 29.67
    isobutyl acetate 0.02
    tetrachloromethane 0.0
    n-pentyl acetate 0.13
    transcutol 13.46
    n-heptanol 0.37
    ethylbenzene 0.02
    MIBK 0.14
    2-propoxyethanol 3.1
    tert-butanol 0.53
    MTBE 0.11
    2-butoxyethanol 2.72
    propionic acid 0.67
    o-xylene 0.03
    formic acid 8.77
    diethyl ether 0.13
    m-xylene 0.03
    p-xylene 0.02
    chlorobenzene 0.01
    dimethyl carbonate 0.2
    n-octane 0.01
    formamide 10.82
    cyclopentanone 2.78
    2-pentanone 0.35
    anisole 0.08
    cyclopentyl methyl ether 0.41
    gamma-butyrolactone 1.66
    1-methoxy-2-propanol 11.46
    pyridine 0.8
    3-pentanone 0.17
    furfural 1.53
    n-dodecane 0.01
    diethylene glycol 6.47
    diisopropyl ether 0.02
    tert-amyl alcohol 0.43
    acetylacetone 0.54
    n-hexadecane 0.01
    acetophenone 0.12
    methyl propionate 0.18
    isopentyl acetate 0.04
    trichloroethylene 0.03
    n-nonanol 0.41
    cyclohexanol 0.42
    benzyl alcohol 0.31
    2-ethylhexanol 0.06
    isooctanol 0.22
    dipropyl ether 0.13
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.24
    propylene carbonate 0.17
    n-methylformamide 4.1
    2-pentanol 0.26
    n-pentane 0.0
    1-propoxy-2-propanol 1.38
    1-methoxy-2-propyl acetate 0.21
    2-(2-methoxypropoxy) propanol 2.36
    mesitylene 0.02
    ε-caprolactone 0.62
    p-cymene 0.02
    epichlorohydrin 1.53
    1,1,1-trichloroethane 0.0
    2-aminoethanol 9.27
    morpholine-4-carbaldehyde 9.82
    sulfolane 5.42
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.96
    n-hexyl acetate 0.21
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 4.92
    sec-butyl acetate 0.03
    tert-butyl acetate 0.08
    decalin 0.0
    glycerin 18.05
    diglyme 7.82
    acrylic acid 1.01
    isopropyl myristate 0.08
    n-butyric acid 0.44
    acetyl acetate 0.04
    di(2-ethylhexyl) phthalate 0.16
    ethyl propionate 0.04
    nitromethane 2.82
    1,2-diethoxyethane 0.57
    benzonitrile 0.06
    trioctyl phosphate 0.12
    1-bromopropane 0.01
    gamma-valerolactone 9.91
    n-decanol 0.26
    triethyl phosphate 0.05
    4-methyl-2-pentanol 0.09
    propionitrile 0.08
    vinylene carbonate 0.14
    1,1,2-trichlorotrifluoroethane 2.85
    DMS 0.1
    cumene 0.01
    2-octanol 0.19
    2-hexanone 0.17
    octyl acetate 0.16
    limonene 0.02
    1,2-dimethoxyethane 5.8
    ethyl orthosilicate 0.05
    tributyl phosphate 0.09
    diacetone alcohol 1.04
    N,N-dimethylaniline 0.09
    acrylonitrile 0.18
    aniline 0.2
    1,3-propanediol 9.93
    bromobenzene 0.0
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.03
    2-methyl-cyclohexyl acetate 0.05
    tetrabutyl urea 0.32
    diisobutyl methanol 0.05
    2-phenylethanol 0.15
    styrene 0.01
    dioctyl adipate 0.21
    dimethyl sulfate 0.57
    ethyl butyrate 0.04
    methyl lactate 1.07
    butyl lactate 0.41
    diethyl carbonate 0.02
    propanediol butyl ether 3.47
    triethyl orthoformate 0.09
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.47
    morpholine 8.96
    tert-butylamine 0.09
    n-dodecanol 0.16
    dimethoxymethane 4.84
    ethylene carbonate 0.11
    cyrene 2.33
    2-ethoxyethyl acetate 0.37
    2-ethylhexyl acetate 0.02
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.24
    dibutyl ether 0.16
    2,6-dimethyl-4-heptanol 0.05
    DEF 0.73
    dimethyl isosorbide 1.93
    tetrachloroethylene 0.03
    eugenol 0.73
    triacetin 0.39
    span 80 1.77
    1,4-butanediol 2.45
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.2
    methyl formate 1.77
    2-methyl-1-butanol 0.43
    n-decane 0.01
    butyronitrile 0.08
    3,7-dimethyl-1-octanol 0.15
    1-chlorooctane 0.04
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 1.08
    tetrahydropyran 0.84
    tert-amyl methyl ether 0.13
    2,5,8-trioxanonane 5.46
    1-hexene 0.01
    2-isopropoxyethanol 2.24
    2,2,2-trifluoroethanol 0.77
    methyl butyrate 0.09

    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