5,7-Dihydroxyisoflavone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    4044-00-2

    Molecular formula
    C15H10O4

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 54.58%
    Odorless 44.87%
    Burnt 32.83%
    Medicinal 27.41%
    Bitter 25.29%
    Spicy 25.11%
    Balsamic 24.69%
    Animal 24.14%
    Fruity 22.65%
    Sweet 22.63%

     

    Flavor
    Bitter 95.14%
    Very strong 20.44%
    Nitrile 20.11%
    Indole 20.09%
    Cedarleaf 20.04%
    Lovage 19.73%
    Moth ball 19.41%
    Naphthelene 19.18%
    Ripe apricot 18.97%
    Parsley 18.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.68 (weak base)

    Molecular weight
    254.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    555°C

    Melting point expt.

    • 205 °C

    Flash point

    • 203.73 ˚C est.

  • Synonyms

    • 5,7-Dihydroxyisoflavone
    • 4044-00-2
    • 5,7-dihydroxy-3-phenylchromen-4-one
    • AT3TWT83XW
    • DTXSID80418801
    • RefChem:1072264
    • DTXCID40369648
    • 5,7-Dihydroxy-3-phenyl-4H-chromen-4-one
    • Isoflavone, 5,7-dihydroxy-
    • 5,7-Dihydroxy-3-phenyl-4H-1-benzopyran-4-one
    • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-phenyl-
    • 5,7-Dihydroxy-3-phenyl-chromen-4-one
    • Contraflam
    • Pinalgesic
    • Ponalgic
    • ApoMefenamic
    • Dysman
    • NuMefenamic
    • Ponmel
    • Ponsyl
    • Mefac
    • Mefic
    • Apo-Mefenamic
    • Nu-Mefenamic
    • Forte, Ponstan
    • KBio3_002307
    • Acid, Mefenaminic
    • PMS-Mefenamic Acid
    • Spectrum_000544
    • SpecPlus_000102
    • Spectrum3_001334
    • Spectrum4_001587
    • Spectrum5_000274
    • APS Brand of Mefenamic Acid
    • BSPBio_003087
    • KBioGR_002174
    • KBioSS_001024
    • SPECTRUM240565
    • Elan Brand of Mefenamic Acid
    • Rowa Brand of Mefenamic Acid
    • DivK1c_006198
    • Apotex Brand of Mefenamic Acid
    • N-2,3-Xylyl-Anthranilic acid
    • Pfizer Brand of Mefenamic Acid
    • SCHEMBL1586459
    • Antigen Brand of Mefenamic Acid
    • CHEMBL1488393
    • Clonmel Brand of Mefenamic Acid
    • Chemidex Brand of Mefenamic Acid
    • KBio1_001142
    • KBio2_001024
    • KBio2_003592
    • KBio2_006160
    • Pinewood Brand of Mefenamic Acid
    • n-(2,3-xylyl)-anthranilic acid
    • Ashbourne Brand of Mefenamic Acid
    • CHEBI:174348
    • Nu Pharm Brand of Mefenamic Acid
    • Nu-Pharm Brand of Mefenamic Acid
    • PJJGZPJJTHBVMX-UHFFFAOYSA-N
    • Mefenamic acid (JP15/USP/INN)
    • BB_NC-03216
    • Farmasierra Brand of Mefenamic Acid
    • Parke Davis Brand of Mefenamic Acid
    • BBL036453
    • CCG-38716
    • LMPK12050160
    • MFCD00076015
    • STL559003
    • Pharmascience Brand of Mefenamic Acid
    • AKOS005258612
    • First Horizon Brand of Mefenamic Acid
    • Mefenamic acid [USAN:INN:BAN:JAN]
    • FD66334
    • SDCCGMLS-0066480.P001
    • Warner Lambert Brand of Mefenamic Acid
    • Warner-Lambert Brand of Mefenamic Acid
    • NCGC00095547-01
    • NCGC00095547-02
    • NCGC00095547-03
    • NCGC00178305-01
    • N-(2, 3-Dimethylphenyl)anthranilic acid
    • VS-13495
    • 2-(2,3-Dimethylphenyl)amino-Benzoic acid
    • 5,7-Bis(oxidanyl)-3-phenyl-chromen-4-one
    • CS-0320129
    • 5,7-Dihydroxy-3-phenyl-4H-chromen-4-one #
    • 2',3'-Dimethyl-2-Diphenylaminecarboxylic acid
    • AC-542/21092024
    • AE-848/34953026
    • 5,7-Dihydroxy-3-phenyl-4H-1-benzopyran-4-one, 9CI
    • 5,7-Dihydroxyisoflavone

  • Applications

    5,7-Dihydroxyisoflavone (CAS 4044-00-2) is primarily used as an intermediate in the synthesis of flavonoid derivatives for pharmaceutical development and cosmetic ingredient research. In chemical synthesis, it serves as a building block for related isoflavone compounds and may be employed in semi-synthetic routes to access novel derivatives. In both academic and industrial settings, it is used as a reference substrate in flavonoid chemistry and for analytical method development, reflecting its role as a versatile starting point in flavonoid-based research workflows.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.97
    methanol 2.25
    isopropanol 2.46
    water 0.0
    ethyl acetate 2.77
    n-propanol 2.67
    acetone 11.66
    n-butanol 2.65
    acetonitrile 4.47
    DMF 73.97
    toluene 0.45
    isobutanol 2.17
    1,4-dioxane 13.31
    methyl acetate 6.18
    THF 85.32
    2-butanone 10.84
    n-pentanol 2.67
    sec-butanol 2.13
    n-hexane 0.0
    ethylene glycol 8.44
    NMP 64.61
    cyclohexane 0.01
    DMSO 801.52
    n-butyl acetate 5.52
    n-octanol 1.66
    chloroform 0.1
    n-propyl acetate 5.21
    acetic acid 10.25
    dichloromethane 0.16
    cyclohexanone 16.36
    propylene glycol 13.42
    isopropyl acetate 3.42
    DMAc 71.08
    2-ethoxyethanol 21.88
    isopentanol 3.49
    n-heptane 0.01
    ethyl formate 4.11
    1,2-dichloroethane 0.74
    n-hexanol 2.06
    2-methoxyethanol 67.17
    isobutyl acetate 3.91
    tetrachloromethane 0.02
    n-pentyl acetate 3.69
    transcutol 175.91
    n-heptanol 1.73
    ethylbenzene 0.27
    MIBK 5.97
    2-propoxyethanol 27.87
    tert-butanol 4.76
    MTBE 1.56
    2-butoxyethanol 12.39
    propionic acid 5.91
    o-xylene 0.39
    formic acid 4.6
    diethyl ether 0.58
    m-xylene 0.4
    p-xylene 0.46
    chlorobenzene 0.53
    dimethyl carbonate 5.96
    n-octane 0.01
    formamide 14.15
    cyclopentanone 46.64
    2-pentanone 6.1
    anisole 2.81
    cyclopentyl methyl ether 6.15
    gamma-butyrolactone 52.16
    1-methoxy-2-propanol 47.91
    pyridine 7.98
    3-pentanone 2.83
    furfural 37.59
    n-dodecane 0.03
    diethylene glycol 42.64
    diisopropyl ether 0.3
    tert-amyl alcohol 3.13
    acetylacetone 19.27
    n-hexadecane 0.04
    acetophenone 6.16
    methyl propionate 5.14
    isopentyl acetate 7.01
    trichloroethylene 1.87
    n-nonanol 1.95
    cyclohexanol 2.72
    benzyl alcohol 5.68
    2-ethylhexanol 1.95
    isooctanol 1.93
    dipropyl ether 1.57
    1,2-dichlorobenzene 0.67
    ethyl lactate 9.05
    propylene carbonate 15.05
    n-methylformamide 16.87
    2-pentanol 1.34
    n-pentane 0.0
    1-propoxy-2-propanol 20.39
    1-methoxy-2-propyl acetate 18.31
    2-(2-methoxypropoxy) propanol 24.12
    mesitylene 0.26
    ε-caprolactone 16.12
    p-cymene 0.66
    epichlorohydrin 54.64
    1,1,1-trichloroethane 0.38
    2-aminoethanol 9.0
    morpholine-4-carbaldehyde 61.04
    sulfolane 145.3
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 12.93
    n-hexyl acetate 5.23
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 32.87
    sec-butyl acetate 3.34
    tert-butyl acetate 6.5
    decalin 0.03
    glycerin 45.98
    diglyme 62.0
    acrylic acid 9.25
    isopropyl myristate 2.68
    n-butyric acid 6.67
    acetyl acetate 3.62
    di(2-ethylhexyl) phthalate 4.32
    ethyl propionate 3.84
    nitromethane 45.72
    1,2-diethoxyethane 12.81
    benzonitrile 4.69
    trioctyl phosphate 2.91
    1-bromopropane 0.18
    gamma-valerolactone 86.53
    n-decanol 1.56
    triethyl phosphate 4.06
    4-methyl-2-pentanol 1.69
    propionitrile 2.95
    vinylene carbonate 9.87
    1,1,2-trichlorotrifluoroethane 41.25
    DMS 9.13
    cumene 0.31
    2-octanol 1.04
    2-hexanone 6.95
    octyl acetate 3.32
    limonene 0.87
    1,2-dimethoxyethane 34.77
    ethyl orthosilicate 3.33
    tributyl phosphate 4.14
    diacetone alcohol 25.71
    N,N-dimethylaniline 2.4
    acrylonitrile 7.46
    aniline 2.6
    1,3-propanediol 18.82
    bromobenzene 0.32
    dibromomethane 0.08
    1,1,2,2-tetrachloroethane 1.84
    2-methyl-cyclohexyl acetate 5.5
    tetrabutyl urea 6.86
    diisobutyl methanol 1.8
    2-phenylethanol 5.57
    styrene 0.31
    dioctyl adipate 6.07
    dimethyl sulfate 21.74
    ethyl butyrate 4.63
    methyl lactate 18.05
    butyl lactate 8.69
    diethyl carbonate 3.37
    propanediol butyl ether 17.25
    triethyl orthoformate 4.87
    p-tert-butyltoluene 0.67
    methyl 4-tert-butylbenzoate 9.45
    morpholine 27.05
    tert-butylamine 1.01
    n-dodecanol 1.2
    dimethoxymethane 25.52
    ethylene carbonate 6.95
    cyrene 24.44
    2-ethoxyethyl acetate 10.51
    2-ethylhexyl acetate 4.39
    1,2,4-trichlorobenzene 1.6
    4-methylpyridine 6.5
    dibutyl ether 2.05
    2,6-dimethyl-4-heptanol 1.8
    DEF 9.74
    dimethyl isosorbide 41.33
    tetrachloroethylene 0.59
    eugenol 11.26
    triacetin 11.25
    span 80 13.85
    1,4-butanediol 5.36
    1,1-dichloroethane 0.26
    2-methyl-1-pentanol 3.39
    methyl formate 12.98
    2-methyl-1-butanol 2.57
    n-decane 0.04
    butyronitrile 2.9
    3,7-dimethyl-1-octanol 2.39
    1-chlorooctane 0.37
    1-chlorotetradecane 0.24
    n-nonane 0.02
    undecane 0.04
    tert-butylcyclohexane 0.03
    cyclooctane 0.0
    cyclopentanol 5.69
    tetrahydropyran 4.19
    tert-amyl methyl ether 1.76
    2,5,8-trioxanonane 44.63
    1-hexene 0.05
    2-isopropoxyethanol 13.24
    2,2,2-trifluoroethanol 3.57
    methyl butyrate 6.59

    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