5-Hydroxy-4',7-dimethoxyisoflavone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    34086-51-6

    Molecular formula
    C17H14O5

    SMILES
    COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 64.74%
    Phenolic 55.25%
    Vanilla 41.27%
    Spicy 36.14%
    Powdery 34.9%
    Fruity 33.2%
    Balsamic 31.18%
    Medicinal 29.93%
    Aromatic 29.54%
    Smoky 28.77%

     

    Flavor
    Bitter 92.04%
    Parsley 20.16%
    Lovage 19.61%
    Cedarleaf 19.44%
    Very strong 18.84%
    Aniseed 18.8%
    Ethyl benzoate 18.78%
    Ripe apricot 18.75%
    Tarragon 18.71%
    Sweet-like 18.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.11 (weak base)

    Molecular weight
    298.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    545°C

    Flash point

    • 194.97 ˚C est.

  • Synonyms

    • 34086-51-6
    • 7,4'-Dimethoxy-5-hydroxyisoflavone
    • 5-Hydroxy-4',7-dimethoxyisoflavone
    • 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
    • 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)-
    • O617EDC7HT
    • NSC-604926
    • DTXSID60187684
    • RefChem:913421
    • 7,4'-diMeo-5-OHiF
    • DTXCID20110175
    • 7-O-Methylbiochanin A
    • 5-Hydroxy-7-methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one
    • GENISTEIN-4',7-DIMETHYL ETHER
    • 4',7-dimethoxy-5-hydroxyisoflavone
    • dimethylgenistein
    • NSC 604926
    • NSC604926
    • Biochanin A 7-methyl ether
    • MLS000570796
    • MFCD00075976
    • SMR000150588
    • 5-HYDROXY-7-METHOXY-3-(4-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE
    • Genistein-7,4'-dimethyl ether
    • Spectrum_001916
    • SpecPlus_000385
    • Biochanin A methyl ether
    • Spectrum5_001866
    • UNII-O617EDC7HT
    • Oprea1_378910
    • KBioSS_002458
    • DivK1c_006481
    • SCHEMBL572108
    • CHEMBL464433
    • orb1684804
    • 7-methoxy-3-(4-methoxyphenyl)-5-oxidanyl-chromen-4-one
    • BDBM49475
    • cid_5386259
    • KBio1_001425
    • KBio2_002451
    • KBio2_005019
    • KBio2_007587
    • DQNLRFRBAWCJHQ-UHFFFAOYSA-N
    • 4'7-Dimethoxy-5-hydroxyisoflavone
    • 4',7-DI-O-METHYLGENISTEIN
    • HY-N7655
    • 5-hydroxy-7,4'-dimethoxyisoflavone
    • BIOCHANIN A, 7-METHYL ETHER
    • BIOCHANIN A, MONOMETHYL ETHER
    • EBC-07001
    • SBB063754
    • AKOS003624283
    • CCG-231517
    • FB66696
    • NCGC00246143-01
    • BS-49344
    • NCI60_004625
    • 4',7-DIMETHOXY-5-HYDROXYGENISTEIN
    • DB-048564
    • CS-0135002
    • ST50331723
    • HYDROXY-4',7-DIMETHOXYISOFLAVONE, 5-
    • E78703
    • ISOFLAVONE, 5-HYDROXY-4',7-DIMETHOXY-
    • 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromone
    • AB00052939-11
    • 086G516
    • Z56823094
    • 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)-1-benzopyran-4-one
    • 34086-51-6

  • Applications

    5-Hydroxy-4',7-dimethoxyisoflavone (CAS 34086-51-6) may be used as an intermediate and scaffolding in pharmaceutical research, as a building block in agrochemical synthesis, and as a precursor for isoflavone derivatives in medicinal chemistry programs. It is also considered as a building block for compounds used in cosmetics and personal care formulation development. The compound can serve as a specialty precursor in coatings/inks and as a scaffold in polymer research. Applications depend on purity and regulatory status.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.21
    methanol 0.21
    isopropanol 0.31
    water 0.0
    ethyl acetate 1.19
    n-propanol 0.41
    acetone 3.12
    n-butanol 0.33
    acetonitrile 1.12
    DMF 10.87
    toluene 0.49
    isobutanol 0.43
    1,4-dioxane 6.25
    methyl acetate 2.48
    THF 25.52
    2-butanone 4.08
    n-pentanol 0.35
    sec-butanol 0.44
    n-hexane 0.01
    ethylene glycol 0.3
    NMP 15.01
    cyclohexane 0.03
    DMSO 80.73
    n-butyl acetate 1.69
    n-octanol 0.25
    chloroform 3.76
    n-propyl acetate 1.44
    acetic acid 1.79
    dichloromethane 4.91
    cyclohexanone 7.16
    propylene glycol 0.47
    isopropyl acetate 1.02
    DMAc 27.32
    2-ethoxyethanol 3.04
    isopentanol 0.59
    n-heptane 0.02
    ethyl formate 0.92
    1,2-dichloroethane 4.68
    n-hexanol 0.4
    2-methoxyethanol 5.68
    isobutyl acetate 1.13
    tetrachloromethane 0.17
    n-pentyl acetate 0.9
    transcutol 18.69
    n-heptanol 0.32
    ethylbenzene 0.28
    MIBK 1.44
    2-propoxyethanol 4.68
    tert-butanol 0.91
    MTBE 0.82
    2-butoxyethanol 2.28
    propionic acid 1.21
    o-xylene 0.39
    formic acid 0.66
    diethyl ether 0.46
    m-xylene 0.28
    p-xylene 0.56
    chlorobenzene 0.94
    dimethyl carbonate 1.89
    n-octane 0.01
    formamide 1.87
    cyclopentanone 13.8
    2-pentanone 1.65
    anisole 1.65
    cyclopentyl methyl ether 2.48
    gamma-butyrolactone 13.84
    1-methoxy-2-propanol 3.71
    pyridine 6.21
    3-pentanone 1.84
    furfural 12.86
    n-dodecane 0.02
    diethylene glycol 5.3
    diisopropyl ether 0.17
    tert-amyl alcohol 0.83
    acetylacetone 4.49
    n-hexadecane 0.02
    acetophenone 2.73
    methyl propionate 1.86
    isopentyl acetate 2.36
    trichloroethylene 11.77
    n-nonanol 0.34
    cyclohexanol 0.73
    benzyl alcohol 1.49
    2-ethylhexanol 0.54
    isooctanol 0.43
    dipropyl ether 0.86
    1,2-dichlorobenzene 1.45
    ethyl lactate 1.44
    propylene carbonate 3.71
    n-methylformamide 2.18
    2-pentanol 0.23
    n-pentane 0.01
    1-propoxy-2-propanol 3.13
    1-methoxy-2-propyl acetate 4.53
    2-(2-methoxypropoxy) propanol 5.84
    mesitylene 0.18
    ε-caprolactone 5.32
    p-cymene 0.46
    epichlorohydrin 26.54
    1,1,1-trichloroethane 1.9
    2-aminoethanol 0.55
    morpholine-4-carbaldehyde 14.96
    sulfolane 37.23
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 5.32
    n-hexyl acetate 1.11
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.4
    sec-butyl acetate 1.11
    tert-butyl acetate 2.08
    decalin 0.04
    glycerin 2.37
    diglyme 15.99
    acrylic acid 1.88
    isopropyl myristate 0.79
    n-butyric acid 1.16
    acetyl acetate 1.32
    di(2-ethylhexyl) phthalate 1.36
    ethyl propionate 1.48
    nitromethane 9.57
    1,2-diethoxyethane 3.45
    benzonitrile 1.8
    trioctyl phosphate 0.7
    1-bromopropane 0.89
    gamma-valerolactone 20.7
    n-decanol 0.29
    triethyl phosphate 2.23
    4-methyl-2-pentanol 0.3
    propionitrile 1.18
    vinylene carbonate 3.21
    1,1,2-trichlorotrifluoroethane 16.9
    DMS 2.94
    cumene 0.28
    2-octanol 0.2
    2-hexanone 2.09
    octyl acetate 0.82
    limonene 0.57
    1,2-dimethoxyethane 9.4
    ethyl orthosilicate 1.84
    tributyl phosphate 1.2
    diacetone alcohol 3.99
    N,N-dimethylaniline 1.4
    acrylonitrile 2.46
    aniline 1.38
    1,3-propanediol 1.15
    bromobenzene 0.92
    dibromomethane 1.96
    1,1,2,2-tetrachloroethane 8.88
    2-methyl-cyclohexyl acetate 2.65
    tetrabutyl urea 2.11
    diisobutyl methanol 0.54
    2-phenylethanol 1.73
    styrene 0.32
    dioctyl adipate 1.95
    dimethyl sulfate 7.76
    ethyl butyrate 1.84
    methyl lactate 2.4
    butyl lactate 1.39
    diethyl carbonate 1.69
    propanediol butyl ether 1.54
    triethyl orthoformate 2.17
    p-tert-butyltoluene 0.39
    methyl 4-tert-butylbenzoate 3.28
    morpholine 8.15
    tert-butylamine 0.31
    n-dodecanol 0.25
    dimethoxymethane 5.62
    ethylene carbonate 2.3
    cyrene 6.0
    2-ethoxyethyl acetate 2.86
    2-ethylhexyl acetate 1.81
    1,2,4-trichlorobenzene 2.55
    4-methylpyridine 3.47
    dibutyl ether 0.74
    2,6-dimethyl-4-heptanol 0.54
    DEF 3.07
    dimethyl isosorbide 13.67
    tetrachloroethylene 3.76
    eugenol 3.51
    triacetin 2.98
    span 80 2.57
    1,4-butanediol 0.37
    1,1-dichloroethane 1.43
    2-methyl-1-pentanol 0.64
    methyl formate 1.95
    2-methyl-1-butanol 0.51
    n-decane 0.03
    butyronitrile 0.79
    3,7-dimethyl-1-octanol 0.51
    1-chlorooctane 0.2
    1-chlorotetradecane 0.11
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.04
    cyclooctane 0.01
    cyclopentanol 1.25
    tetrahydropyran 2.9
    tert-amyl methyl ether 0.83
    2,5,8-trioxanonane 12.34
    1-hexene 0.08
    2-isopropoxyethanol 2.19
    2,2,2-trifluoroethanol 1.04
    methyl butyrate 2.08

    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