4',7-Dihydroxy-2',5-dimethoxyisoflavanone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    99965-02-3

    Molecular formula
    C17H16O6

    SMILES
    COC1=CC(=CC2=C1C(=O)C(CO2)C3=C(C=C(C=C3)O)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 52.8%
    Sweet 51.28%
    Spicy 41.32%
    Vanilla 39.86%
    Odorless 33.35%
    Balsamic 28.82%
    Woody 27.95%
    Smoky 27.06%
    Powdery 26.01%
    Creamy 26.0%

     

    Flavor
    Bitter 91.39%
    Bland 25.31%
    Odorless 20.83%
    Parsley 20.67%
    Cedarleaf 20.5%
    Lovage 20.16%
    Sweet-like 20.07%
    Ripe apricot 19.06%
    Red fruit 18.72%
    Ethyl benzoate 18.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    9.57 (weak base)

    Molecular weight
    316.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    702°C

    Flash point

    • 225.18 ˚C est.

  • Synonyms

    • 4',7-Dihydroxy-2',5-dimethoxyisoflavanone
    • 7,4'-Dihydroxy-5,2'-dimethoxyisoflavanone
    • CHEBI:175061
    • DTXSID801130434
    • LMPK12050505
    • 99965-02-3
    • 2,3-Dihydro-7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-5-methoxy-4H-1-benzopyran-4-one
    • 7-Hydroxy-3-(4-hydroxy-2-methoxyphenyl)-5-methoxy-2,3-dihydro-4H-1-benzopyran-4-one
    • 7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
    • 99965-02-3

  • Applications

    4',7-Dihydroxy-2',5-dimethoxyisoflavanone (CAS 99965-02-3) is used as a synthetic intermediate and building block in flavonoid chemistry, supporting pharmaceutical research and the development of isoflavone-derived compounds. In cosmetics and personal care, it is evaluated as an antioxidant additive and potential stabilizer to improve formulation shelf life and photostability. In polymers and coatings, it has been explored as a stabilizer and UV-absorbing additive for plastics and coatings. The isoflavone scaffold also enables exploration as a starting material for agrochemical derivatives and related chemical syntheses, and it serves as a substrate in academic and industrial research on synthetic methods and functionalization of flavonoid-like structures.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.36
    methanol 3.86
    isopropanol 2.47
    water 0.0
    ethyl acetate 14.42
    n-propanol 2.32
    acetone 45.75
    n-butanol 2.26
    acetonitrile 20.49
    DMF 92.76
    toluene 0.97
    isobutanol 2.24
    1,4-dioxane 25.52
    methyl acetate 21.06
    THF 122.08
    2-butanone 26.57
    n-pentanol 2.19
    sec-butanol 2.02
    n-hexane 0.05
    ethylene glycol 2.48
    NMP 66.76
    cyclohexane 0.1
    DMSO 475.79
    n-butyl acetate 9.44
    n-octanol 2.81
    chloroform 17.01
    n-propyl acetate 9.52
    acetic acid 14.11
    dichloromethane 17.6
    cyclohexanone 34.74
    propylene glycol 1.91
    isopropyl acetate 8.46
    DMAc 146.87
    2-ethoxyethanol 15.56
    isopentanol 3.23
    n-heptane 0.09
    ethyl formate 13.1
    1,2-dichloroethane 17.5
    n-hexanol 2.49
    2-methoxyethanol 32.1
    isobutyl acetate 5.58
    tetrachloromethane 1.55
    n-pentyl acetate 5.14
    transcutol 26.04
    n-heptanol 2.16
    ethylbenzene 0.92
    MIBK 10.39
    2-propoxyethanol 22.27
    tert-butanol 5.91
    MTBE 3.7
    2-butoxyethanol 10.0
    propionic acid 5.98
    o-xylene 1.22
    formic acid 8.06
    diethyl ether 2.94
    m-xylene 1.07
    p-xylene 1.56
    chlorobenzene 3.35
    dimethyl carbonate 17.47
    n-octane 0.07
    formamide 20.78
    cyclopentanone 78.38
    2-pentanone 17.56
    anisole 6.34
    cyclopentyl methyl ether 10.46
    gamma-butyrolactone 75.4
    1-methoxy-2-propanol 20.44
    pyridine 13.73
    3-pentanone 13.04
    furfural 44.26
    n-dodecane 0.13
    diethylene glycol 24.32
    diisopropyl ether 1.02
    tert-amyl alcohol 3.8
    acetylacetone 36.24
    n-hexadecane 0.16
    acetophenone 10.53
    methyl propionate 17.08
    isopentyl acetate 9.83
    trichloroethylene 36.39
    n-nonanol 2.96
    cyclohexanol 3.27
    benzyl alcohol 5.71
    2-ethylhexanol 2.61
    isooctanol 2.26
    dipropyl ether 3.52
    1,2-dichlorobenzene 5.08
    ethyl lactate 8.66
    propylene carbonate 20.72
    n-methylformamide 26.97
    2-pentanol 1.4
    n-pentane 0.04
    1-propoxy-2-propanol 12.94
    1-methoxy-2-propyl acetate 17.67
    2-(2-methoxypropoxy) propanol 16.73
    mesitylene 0.88
    ε-caprolactone 22.82
    p-cymene 1.6
    epichlorohydrin 82.4
    1,1,1-trichloroethane 10.56
    2-aminoethanol 2.99
    morpholine-4-carbaldehyde 51.8
    sulfolane 124.06
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 19.34
    n-hexyl acetate 7.26
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 15.34
    sec-butyl acetate 5.35
    tert-butyl acetate 10.6
    decalin 0.15
    glycerin 9.45
    diglyme 37.69
    acrylic acid 8.51
    isopropyl myristate 3.85
    n-butyric acid 8.43
    acetyl acetate 12.62
    di(2-ethylhexyl) phthalate 5.58
    ethyl propionate 9.66
    nitromethane 96.12
    1,2-diethoxyethane 8.11
    benzonitrile 9.19
    trioctyl phosphate 4.21
    1-bromopropane 3.26
    gamma-valerolactone 76.31
    n-decanol 2.25
    triethyl phosphate 8.48
    4-methyl-2-pentanol 1.66
    propionitrile 11.82
    vinylene carbonate 18.18
    1,1,2-trichlorotrifluoroethane 48.46
    DMS 11.82
    cumene 0.93
    2-octanol 1.48
    2-hexanone 11.26
    octyl acetate 4.93
    limonene 2.04
    1,2-dimethoxyethane 45.33
    ethyl orthosilicate 6.64
    tributyl phosphate 5.76
    diacetone alcohol 19.19
    N,N-dimethylaniline 4.49
    acrylonitrile 21.17
    aniline 3.65
    1,3-propanediol 6.55
    bromobenzene 2.88
    dibromomethane 7.44
    1,1,2,2-tetrachloroethane 26.24
    2-methyl-cyclohexyl acetate 8.4
    tetrabutyl urea 9.36
    diisobutyl methanol 2.09
    2-phenylethanol 7.26
    styrene 1.07
    dioctyl adipate 7.53
    dimethyl sulfate 49.04
    ethyl butyrate 8.71
    methyl lactate 14.94
    butyl lactate 6.47
    diethyl carbonate 7.89
    propanediol butyl ether 7.37
    triethyl orthoformate 7.2
    p-tert-butyltoluene 1.35
    methyl 4-tert-butylbenzoate 12.02
    morpholine 27.18
    tert-butylamine 1.57
    n-dodecanol 1.73
    dimethoxymethane 47.58
    ethylene carbonate 16.19
    cyrene 20.31
    2-ethoxyethyl acetate 10.02
    2-ethylhexyl acetate 7.1
    1,2,4-trichlorobenzene 7.12
    4-methylpyridine 12.27
    dibutyl ether 3.3
    2,6-dimethyl-4-heptanol 2.09
    DEF 23.15
    dimethyl isosorbide 32.89
    tetrachloroethylene 13.06
    eugenol 11.71
    triacetin 11.82
    span 80 8.56
    1,4-butanediol 2.58
    1,1-dichloroethane 8.41
    2-methyl-1-pentanol 2.69
    methyl formate 27.93
    2-methyl-1-butanol 2.38
    n-decane 0.2
    butyronitrile 8.44
    3,7-dimethyl-1-octanol 3.19
    1-chlorooctane 1.44
    1-chlorotetradecane 0.69
    n-nonane 0.15
    undecane 0.17
    tert-butylcyclohexane 0.13
    cyclooctane 0.05
    cyclopentanol 5.53
    tetrahydropyran 10.62
    tert-amyl methyl ether 3.49
    2,5,8-trioxanonane 30.98
    1-hexene 0.31
    2-isopropoxyethanol 9.97
    2,2,2-trifluoroethanol 11.52
    methyl butyrate 13.85

    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