Isoflavone

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  • Identifiers

    CAS number
    574-12-9

    Molecular formula
    C15H10O2

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 62.95%
    Coumarinic 42.47%
    Phenolic 42.23%
    Floral 41.99%
    Bitter 37.07%
    Powdery 36.16%
    Balsamic 35.5%
    Almond 32.46%
    Fruity 32.36%
    Musty 30.7%

     

    Flavor
    Bitter 91.75%
    Balsam 21.71%
    Moth ball 21.14%
    Naphthelene 20.79%
    Very strong 20.64%
    Tonka 20.54%
    Tar 20.44%
    Tarry 20.11%
    Indole 20.02%
    Nitrile 19.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    6.5 (neutral)

    Molecular weight
    222.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    385°C

    Flash point

    • 157.5 ˚C est.

  • Synonyms

    • Isoflavone
    • 574-12-9
    • 3-Phenylchromone
    • 3-phenyl-4H-1-benzopyran-4-one
    • isoflavon
    • OVO2KUW8H8
    • NSC-135405
    • NSC135405
    • CHEBI:18220
    • DTXSID90205986
    • Homoisoflavone
    • Isoflavones
    • Isoflavone Derivative
    • Derivative, Isoflavone
    • 3 Benzylchroman 4 One
    • 3 Benzylchroman 4 Ones
    • 3-Benzylchroman-4-Ones
    • 3 Benzylidene 4 Chromanone
    • 3 Benzylidene 4 Chromanones
    • 3-Benzylidene-4-Chromanones
    • RefChem:791867
    • CHEBI:38757
    • DTXCID20128477
    • 7-(4-hydroxy-2-methoxy-3-methylphenyl)-5-methoxy-2,2-dimethylpyrano(3,2-g)chromen-6-one
    • 3-Benzylchroman-4-One
    • 3-Benzylidene-4-Chromanone
    • 3-phenyl-4H-chromen-4-one
    • 3-phenylchromen-4-one
    • 4H-1-Benzopyran-4-one, 3-phenyl-
    • MFCD00100851
    • Isoflavone - 98%
    • UNII-OVO2KUW8H8
    • 3-Phenyl-4H-1-benzopyran-4-one; 3-Phenyl-4-chromone; 3-Phenylchromone; NSC 135405; Isoflavone 80
    • Isoflavone - 40%
    • NSC 135405
    • ybean Isoflavones P.E
    • ISOFLAVONE [MI]
    • SCHEMBL8028
    • CHEMBL366460
    • orb1299133
    • SCHEMBL9126332
    • SCHEMBL31264756
    • MSK158859
    • SBB068618
    • AKOS015918505
    • CCG-214095
    • CS-W006405
    • DB12007
    • DS-6374
    • EBC-438041
    • FI36727
    • HY-W006405
    • AC-12802
    • ST098957
    • XI164023
    • NS00033715
    • C00799
    • 574I129
    • Q27102918
    • Isoflavone

  • Applications

    Isoflavone (CAS 574-12-9) is a plant-derived polyphenolic compound used across several industrial sectors. In cosmetics and personal care, it is employed as an antioxidant and as part of botanical extracts to support product stability. In polymers and plastics, isoflavone may be used as an antioxidant/stabilizer to improve thermal resistance and material longevity. In coatings and inks, it can serve as a natural antioxidant additive or a precursor for further functionalization. In pharmaceuticals and nutraceuticals, isoflavone is studied as a bioactive plant compound and may appear as a component in dietary supplements or as an intermediate in chemical synthesis. In food processing and functional foods, isoflavone-containing ingredients are evaluated for plant-based functional attributes, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.97
    methanol 2.61
    isopropanol 2.13
    water 0.01
    ethyl acetate 10.46
    n-propanol 3.37
    acetone 18.48
    n-butanol 3.5
    acetonitrile 7.53
    DMF 66.91
    toluene 14.08
    isobutanol 3.09
    1,4-dioxane 39.4
    methyl acetate 16.25
    THF 71.45
    2-butanone 19.42
    n-pentanol 4.5
    sec-butanol 2.33
    n-hexane 0.35
    ethylene glycol 1.39
    NMP 41.92
    cyclohexane 0.77
    DMSO 29.45
    n-butyl acetate 16.3
    n-octanol 3.58
    chloroform 34.47
    n-propyl acetate 14.36
    acetic acid 11.47
    dichloromethane 55.67
    cyclohexanone 40.65
    propylene glycol 1.24
    isopropyl acetate 10.29
    DMAc 65.86
    2-ethoxyethanol 10.19
    isopentanol 5.27
    n-heptane 0.82
    ethyl formate 10.35
    1,2-dichloroethane 69.96
    n-hexanol 6.21
    2-methoxyethanol 15.6
    isobutyl acetate 13.89
    tetrachloromethane 1.56
    n-pentyl acetate 12.28
    transcutol 102.8
    n-heptanol 4.76
    ethylbenzene 10.43
    MIBK 14.52
    2-propoxyethanol 16.23
    tert-butanol 4.34
    MTBE 6.19
    2-butoxyethanol 13.44
    propionic acid 6.69
    o-xylene 8.63
    formic acid 3.33
    diethyl ether 7.14
    m-xylene 8.54
    p-xylene 12.4
    chlorobenzene 22.03
    dimethyl carbonate 13.33
    n-octane 0.53
    formamide 10.78
    cyclopentanone 54.43
    2-pentanone 13.48
    anisole 22.06
    cyclopentyl methyl ether 17.4
    gamma-butyrolactone 57.11
    1-methoxy-2-propanol 10.75
    pyridine 66.48
    3-pentanone 12.38
    furfural 69.49
    n-dodecane 0.68
    diethylene glycol 14.13
    diisopropyl ether 3.37
    tert-amyl alcohol 4.05
    acetylacetone 29.58
    n-hexadecane 0.84
    acetophenone 26.44
    methyl propionate 11.39
    isopentyl acetate 19.28
    trichloroethylene 124.04
    n-nonanol 4.4
    cyclohexanol 5.47
    benzyl alcohol 15.2
    2-ethylhexanol 6.7
    isooctanol 5.5
    dipropyl ether 9.88
    1,2-dichlorobenzene 24.62
    ethyl lactate 7.6
    propylene carbonate 26.83
    n-methylformamide 14.87
    2-pentanol 2.37
    n-pentane 0.24
    1-propoxy-2-propanol 11.58
    1-methoxy-2-propyl acetate 22.16
    2-(2-methoxypropoxy) propanol 21.42
    mesitylene 5.66
    ε-caprolactone 31.86
    p-cymene 7.37
    epichlorohydrin 100.21
    1,1,1-trichloroethane 17.71
    2-aminoethanol 2.64
    morpholine-4-carbaldehyde 54.38
    sulfolane 55.69
    2,2,4-trimethylpentane 0.5
    2-methyltetrahydrofuran 25.46
    n-hexyl acetate 14.43
    isooctane 0.43
    2-(2-butoxyethoxy)ethanol 26.44
    sec-butyl acetate 11.95
    tert-butyl acetate 15.28
    decalin 1.37
    glycerin 3.94
    diglyme 77.95
    acrylic acid 10.01
    isopropyl myristate 8.58
    n-butyric acid 10.08
    acetyl acetate 12.14
    di(2-ethylhexyl) phthalate 9.53
    ethyl propionate 12.42
    nitromethane 34.83
    1,2-diethoxyethane 29.01
    benzonitrile 23.4
    trioctyl phosphate 5.45
    1-bromopropane 13.25
    gamma-valerolactone 74.09
    n-decanol 3.73
    triethyl phosphate 11.57
    4-methyl-2-pentanol 3.63
    propionitrile 9.07
    vinylene carbonate 32.04
    1,1,2-trichlorotrifluoroethane 37.67
    DMS 22.82
    cumene 7.68
    2-octanol 3.14
    2-hexanone 16.84
    octyl acetate 8.74
    limonene 7.64
    1,2-dimethoxyethane 44.36
    ethyl orthosilicate 10.74
    tributyl phosphate 7.78
    diacetone alcohol 18.42
    N,N-dimethylaniline 16.15
    acrylonitrile 19.29
    aniline 14.31
    1,3-propanediol 5.02
    bromobenzene 21.87
    dibromomethane 26.17
    1,1,2,2-tetrachloroethane 69.33
    2-methyl-cyclohexyl acetate 17.34
    tetrabutyl urea 12.2
    diisobutyl methanol 6.34
    2-phenylethanol 17.18
    styrene 12.57
    dioctyl adipate 14.76
    dimethyl sulfate 22.63
    ethyl butyrate 14.53
    methyl lactate 7.91
    butyl lactate 10.36
    diethyl carbonate 12.34
    propanediol butyl ether 9.14
    triethyl orthoformate 13.18
    p-tert-butyltoluene 6.61
    methyl 4-tert-butylbenzoate 22.25
    morpholine 33.46
    tert-butylamine 2.77
    n-dodecanol 3.19
    dimethoxymethane 30.92
    ethylene carbonate 21.4
    cyrene 21.01
    2-ethoxyethyl acetate 23.15
    2-ethylhexyl acetate 15.74
    1,2,4-trichlorobenzene 30.34
    4-methylpyridine 38.4
    dibutyl ether 10.5
    2,6-dimethyl-4-heptanol 6.34
    DEF 21.71
    dimethyl isosorbide 49.4
    tetrachloroethylene 39.05
    eugenol 23.48
    triacetin 21.98
    span 80 13.95
    1,4-butanediol 2.2
    1,1-dichloroethane 18.17
    2-methyl-1-pentanol 7.11
    methyl formate 16.13
    2-methyl-1-butanol 4.35
    n-decane 0.96
    butyronitrile 7.78
    3,7-dimethyl-1-octanol 5.99
    1-chlorooctane 4.65
    1-chlorotetradecane 2.48
    n-nonane 0.75
    undecane 0.79
    tert-butylcyclohexane 1.29
    cyclooctane 0.35
    cyclopentanol 6.48
    tetrahydropyran 23.1
    tert-amyl methyl ether 6.11
    2,5,8-trioxanonane 50.51
    1-hexene 2.84
    2-isopropoxyethanol 9.43
    2,2,2-trifluoroethanol 5.44
    methyl butyrate 17.78

    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