7-Hydroxyisoflavone

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  • Identifiers

    CAS number
    13057-72-2

    Molecular formula
    C15H10O3

    SMILES
    C1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 57.82%
    Sweet 47.43%
    Burnt 34.29%
    Medicinal 33.33%
    Bitter 32.21%
    Fruity 31.88%
    Balsamic 31.06%
    Coumarinic 30.86%
    Spicy 28.16%
    Powdery 28.03%

     

    Flavor
    Bitter 95.73%
    Very strong 20.1%
    Indole 19.66%
    Moth ball 19.6%
    Nitrile 19.51%
    Naphthelene 19.28%
    Lovage 19.14%
    Cedarleaf 18.88%
    Tar 18.56%
    Tarry 18.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.21 (weak base)

    Molecular weight
    238.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    465°C

    Flash point

    • 184.28 ˚C est.

  • Synonyms

    • 7-Hydroxyisoflavone
    • 13057-72-2
    • 7-Hydroxy-3-phenyl-4H-chromen-4-one
    • 7-hydroxy-3-phenylchromen-4-one
    • 4H-1-Benzopyran-4-one, 7-hydroxy-3-phenyl-
    • 7-Hydroxy Isoflavone
    • CHEBI:12256
    • DTXSID90156626
    • RefChem:106227
    • DTXCID7079117
    • 603-427-6
    • 7-Hydroxy-3-phenyl-chromen-4-one
    • MFCD00017701
    • 7-Hydroxy-3-phenylchromone
    • 7-hydroxy-3-phenyl-4H-1-benzopyran-4-one
    • NSC607392
    • BRN 0193534
    • 7-hydroxyisoflavones
    • 7-hydroxy-isoflavone
    • a 7-hydroxyisoflavone
    • Ipriflavone Impurity B
    • Ipriflavone Impurity 2
    • Isoflavone, 7-hydroxy-
    • Maybridge4_003362
    • 7-Hydroxy-isoflavone (3b)
    • Oprea1_185641
    • Oprea1_640640
    • 5-18-02-00276 (Beilstein Handbook Reference)
    • MLS001049140
    • SCHEMBL762528
    • CHEMBL491981
    • orb1299147
    • CHEBI:55465
    • BDBM106781
    • HMS1530I18
    • HMS2271J06
    • 7-oxidanyl-3-phenyl-chromen-4-one
    • ALBB-017548
    • BB_NC-03181
    • BBL036389
    • EBC-03720
    • SBB015267
    • STK922917
    • AKOS000122036
    • CCG-248052
    • FH12874
    • HY-W031126
    • NSC-607392
    • 7-hydroxy-3-phenyl-1-benzopyran-4-one
    • NCGC00175926-01
    • AS-42850
    • PD158951
    • SMR000386965
    • SY032959
    • DB-062760
    • CS-0075150
    • H1579
    • NS00024113
    • ST45177140
    • EN300-03235
    • 057H722
    • 7-Hydroxy-3-phenyl-4H-chromen-4-one, AldrichCPR
    • A806103
    • F211662
    • SR-01000417089
    • SR-01000417089-1
    • BRD-K18327154-001-01-4
    • Q27108950
    • Z56175761
    • F0196-0870
    • 13057-72-2

  • Applications

    7-Hydroxyisoflavone, CAS 13057-72-2, is primarily used as a chemical intermediate and scaffold in the synthesis of isoflavone derivatives, supporting medicinal chemistry research and the preparation of related compounds. In cosmetics and personal care, it may serve as an antioxidant ingredient and precursor for formulation development, with ongoing evaluation for compatibility in formulations and packaging stability. In the polymer and coatings field, 7-Hydroxyisoflavone can be viewed as a stabilizer or antioxidant additive to improve oxidative stability of resins and coatings. It also finds use as an analytical reference standard in laboratories and as an intermediate in the synthesis of more complex flavonoid molecules. Use should be subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.07
    methanol 1.87
    isopropanol 1.95
    water 0.0
    ethyl acetate 1.94
    n-propanol 2.22
    acetone 10.29
    n-butanol 2.18
    acetonitrile 3.02
    DMF 31.8
    toluene 1.6
    isobutanol 1.93
    1,4-dioxane 20.05
    methyl acetate 5.22
    THF 61.75
    2-butanone 9.09
    n-pentanol 2.79
    sec-butanol 1.87
    n-hexane 0.01
    ethylene glycol 2.57
    NMP 15.0
    cyclohexane 0.02
    DMSO 93.28
    n-butyl acetate 4.93
    n-octanol 1.41
    chloroform 0.42
    n-propyl acetate 5.17
    acetic acid 6.48
    dichloromethane 1.08
    cyclohexanone 14.38
    propylene glycol 3.54
    isopropyl acetate 3.45
    DMAc 45.92
    2-ethoxyethanol 12.88
    isopentanol 3.39
    n-heptane 0.04
    ethyl formate 2.88
    1,2-dichloroethane 3.4
    n-hexanol 2.57
    2-methoxyethanol 25.33
    isobutyl acetate 4.95
    tetrachloromethane 0.05
    n-pentyl acetate 4.11
    transcutol 139.26
    n-heptanol 2.14
    ethylbenzene 1.04
    MIBK 6.7
    2-propoxyethanol 16.43
    tert-butanol 4.36
    MTBE 2.66
    2-butoxyethanol 10.03
    propionic acid 3.23
    o-xylene 1.06
    formic acid 2.5
    diethyl ether 1.23
    m-xylene 1.05
    p-xylene 1.59
    chlorobenzene 1.64
    dimethyl carbonate 4.55
    n-octane 0.03
    formamide 7.75
    cyclopentanone 23.9
    2-pentanone 5.06
    anisole 6.91
    cyclopentyl methyl ether 5.86
    gamma-butyrolactone 22.06
    1-methoxy-2-propanol 18.26
    pyridine 16.32
    3-pentanone 2.87
    furfural 25.03
    n-dodecane 0.1
    diethylene glycol 20.4
    diisopropyl ether 0.65
    tert-amyl alcohol 3.24
    acetylacetone 14.31
    n-hexadecane 0.13
    acetophenone 9.09
    methyl propionate 3.06
    isopentyl acetate 7.66
    trichloroethylene 6.83
    n-nonanol 1.96
    cyclohexanol 2.48
    benzyl alcohol 7.38
    2-ethylhexanol 2.66
    isooctanol 2.6
    dipropyl ether 2.83
    1,2-dichlorobenzene 1.95
    ethyl lactate 5.48
    propylene carbonate 8.93
    n-methylformamide 7.32
    2-pentanol 1.25
    n-pentane 0.01
    1-propoxy-2-propanol 12.02
    1-methoxy-2-propyl acetate 13.64
    2-(2-methoxypropoxy) propanol 19.37
    mesitylene 0.7
    ε-caprolactone 11.18
    p-cymene 1.66
    epichlorohydrin 42.2
    1,1,1-trichloroethane 0.86
    2-aminoethanol 3.77
    morpholine-4-carbaldehyde 30.43
    sulfolane 37.64
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 10.83
    n-hexyl acetate 5.07
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 27.16
    sec-butyl acetate 4.29
    tert-butyl acetate 7.36
    decalin 0.08
    glycerin 11.41
    diglyme 61.31
    acrylic acid 4.73
    isopropyl myristate 3.44
    n-butyric acid 4.07
    acetyl acetate 3.27
    di(2-ethylhexyl) phthalate 4.77
    ethyl propionate 3.94
    nitromethane 16.92
    1,2-diethoxyethane 19.15
    benzonitrile 6.69
    trioctyl phosphate 2.7
    1-bromopropane 0.56
    gamma-valerolactone 40.84
    n-decanol 1.75
    triethyl phosphate 4.66
    4-methyl-2-pentanol 2.07
    propionitrile 3.07
    vinylene carbonate 8.37
    1,1,2-trichlorotrifluoroethane 20.37
    DMS 8.75
    cumene 1.11
    2-octanol 1.26
    2-hexanone 7.6
    octyl acetate 3.62
    limonene 1.77
    1,2-dimethoxyethane 34.64
    ethyl orthosilicate 4.36
    tributyl phosphate 3.74
    diacetone alcohol 16.49
    N,N-dimethylaniline 4.95
    acrylonitrile 6.63
    aniline 4.31
    1,3-propanediol 7.94
    bromobenzene 1.15
    dibromomethane 0.39
    1,1,2,2-tetrachloroethane 5.11
    2-methyl-cyclohexyl acetate 6.81
    tetrabutyl urea 6.35
    diisobutyl methanol 2.76
    2-phenylethanol 7.72
    styrene 1.28
    dioctyl adipate 7.01
    dimethyl sulfate 10.63
    ethyl butyrate 4.87
    methyl lactate 6.93
    butyl lactate 6.05
    diethyl carbonate 4.1
    propanediol butyl ether 9.61
    triethyl orthoformate 5.79
    p-tert-butyltoluene 1.58
    methyl 4-tert-butylbenzoate 10.41
    morpholine 22.92
    tert-butylamine 1.47
    n-dodecanol 1.54
    dimethoxymethane 19.83
    ethylene carbonate 5.51
    cyrene 15.92
    2-ethoxyethyl acetate 10.54
    2-ethylhexyl acetate 5.24
    1,2,4-trichlorobenzene 3.76
    4-methylpyridine 9.86
    dibutyl ether 3.68
    2,6-dimethyl-4-heptanol 2.76
    DEF 7.18
    dimethyl isosorbide 34.25
    tetrachloroethylene 1.98
    eugenol 12.65
    triacetin 10.95
    span 80 11.16
    1,4-butanediol 2.68
    1,1-dichloroethane 0.72
    2-methyl-1-pentanol 4.3
    methyl formate 6.46
    2-methyl-1-butanol 2.48
    n-decane 0.12
    butyronitrile 2.81
    3,7-dimethyl-1-octanol 2.87
    1-chlorooctane 0.82
    1-chlorotetradecane 0.56
    n-nonane 0.07
    undecane 0.11
    tert-butylcyclohexane 0.11
    cyclooctane 0.01
    cyclopentanol 3.25
    tetrahydropyran 6.99
    tert-amyl methyl ether 2.57
    2,5,8-trioxanonane 43.73
    1-hexene 0.15
    2-isopropoxyethanol 9.96
    2,2,2-trifluoroethanol 2.14
    methyl butyrate 5.94

    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