Cajaisoflavone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    72578-99-5

    Molecular formula
    C26H26O7

    SMILES
    CC(=CCC1=C(C(=C(C=C1O)OC)C2=COC3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 46.49%
    Spicy 42.87%
    Woody 34.26%
    Sweet 28.48%
    Fruity 27.66%
    Smoky 27.23%
    Dry 25.82%
    Burnt 24.32%
    Odorless 24.09%
    Medicinal 22.82%

     

    Flavor
    Bitter 91.15%
    Bland 20.31%
    Cedarleaf 20.08%
    Parsley 20.06%
    Lovage 19.3%
    Ripe apricot 18.45%
    Red fruit 18.36%
    Heather 18.01%
    Sweet-like 17.97%
    Eugenol 17.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    9.87 (weak base)

    Molecular weight
    450.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1424°C

    Flash point

    • 260.65 ˚C est.

  • Synonyms

    • Cajaisoflavone
    • CHEBI:176138
    • DTXSID001104960
    • LMPK12050308
    • 72578-99-5
    • 2H,6H-Benzo[1,2-b:5,4-ba(2)]dipyran-6-one, 7-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-5-hydroxy-2,2-dimethyl-
    • 7-[2,4-Dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-5-hydroxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one, 9CI
    • 7-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
    • 72578-99-5

  • Applications

    Cajaisoflavone (CAS 72578-99-5) is viewed as a potential building block for the synthesis of flavonoid derivatives used in pharmaceutical research and functional materials; it has been investigated for antioxidant activity and may be evaluated as an antioxidant for cosmetics or as a stabilizer in polymer formulations; it can serve as a precursor for pigments or colorants in coatings and inks; it may also be considered a specialty additive in household products to enhance formulation stability. All uses are subject to applicable regulations and formulation-specific limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.86
    methanol 1.15
    isopropanol 0.82
    water 0.0
    ethyl acetate 4.9
    n-propanol 1.61
    acetone 5.63
    n-butanol 1.14
    acetonitrile 2.05
    DMF 18.13
    toluene 1.42
    isobutanol 1.21
    1,4-dioxane 10.03
    methyl acetate 7.35
    THF 31.84
    2-butanone 9.25
    n-pentanol 1.1
    sec-butanol 1.19
    n-hexane 0.03
    ethylene glycol 0.58
    NMP 44.8
    cyclohexane 0.07
    DMSO 27.36
    n-butyl acetate 4.33
    n-octanol 0.83
    chloroform 21.57
    n-propyl acetate 4.02
    acetic acid 8.28
    dichloromethane 14.28
    cyclohexanone 15.19
    propylene glycol 1.04
    isopropyl acetate 3.28
    DMAc 48.06
    2-ethoxyethanol 5.28
    isopentanol 1.13
    n-heptane 0.04
    ethyl formate 3.09
    1,2-dichloroethane 7.28
    n-hexanol 0.94
    2-methoxyethanol 8.41
    isobutyl acetate 3.25
    tetrachloromethane 0.82
    n-pentyl acetate 3.44
    transcutol 14.08
    n-heptanol 0.94
    ethylbenzene 0.64
    MIBK 2.97
    2-propoxyethanol 10.16
    tert-butanol 1.13
    MTBE 1.22
    2-butoxyethanol 5.79
    propionic acid 4.29
    o-xylene 0.81
    formic acid 2.31
    diethyl ether 1.23
    m-xylene 0.69
    p-xylene 1.1
    chlorobenzene 2.49
    dimethyl carbonate 6.93
    n-octane 0.02
    formamide 3.41
    cyclopentanone 26.69
    2-pentanone 4.59
    anisole 3.0
    cyclopentyl methyl ether 4.64
    gamma-butyrolactone 31.67
    1-methoxy-2-propanol 6.48
    pyridine 13.8
    3-pentanone 4.6
    furfural 19.82
    n-dodecane 0.03
    diethylene glycol 6.78
    diisopropyl ether 0.3
    tert-amyl alcohol 1.4
    acetylacetone 9.49
    n-hexadecane 0.04
    acetophenone 5.52
    methyl propionate 7.83
    isopentyl acetate 4.69
    trichloroethylene 28.96
    n-nonanol 0.98
    cyclohexanol 1.75
    benzyl alcohol 3.21
    2-ethylhexanol 0.87
    isooctanol 0.95
    dipropyl ether 1.39
    1,2-dichlorobenzene 2.84
    ethyl lactate 3.64
    propylene carbonate 10.52
    n-methylformamide 5.9
    2-pentanol 0.6
    n-pentane 0.03
    1-propoxy-2-propanol 6.49
    1-methoxy-2-propyl acetate 9.92
    2-(2-methoxypropoxy) propanol 8.22
    mesitylene 0.33
    ε-caprolactone 14.6
    p-cymene 0.62
    epichlorohydrin 36.45
    1,1,1-trichloroethane 5.4
    2-aminoethanol 1.26
    morpholine-4-carbaldehyde 30.61
    sulfolane 50.29
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 9.31
    n-hexyl acetate 3.85
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 8.44
    sec-butyl acetate 2.91
    tert-butyl acetate 3.58
    decalin 0.07
    glycerin 3.06
    diglyme 17.01
    acrylic acid 5.28
    isopropyl myristate 1.59
    n-butyric acid 4.74
    acetyl acetate 4.9
    di(2-ethylhexyl) phthalate 3.15
    ethyl propionate 4.43
    nitromethane 21.73
    1,2-diethoxyethane 3.89
    benzonitrile 3.66
    trioctyl phosphate 1.86
    1-bromopropane 2.07
    gamma-valerolactone 43.84
    n-decanol 0.7
    triethyl phosphate 3.24
    4-methyl-2-pentanol 0.52
    propionitrile 2.81
    vinylene carbonate 9.99
    1,1,2-trichlorotrifluoroethane 33.7
    DMS 7.54
    cumene 0.46
    2-octanol 0.59
    2-hexanone 4.34
    octyl acetate 2.23
    limonene 0.74
    1,2-dimethoxyethane 11.9
    ethyl orthosilicate 2.62
    tributyl phosphate 2.35
    diacetone alcohol 6.37
    N,N-dimethylaniline 2.33
    acrylonitrile 4.79
    aniline 2.94
    1,3-propanediol 2.11
    bromobenzene 2.49
    dibromomethane 5.79
    1,1,2,2-tetrachloroethane 21.5
    2-methyl-cyclohexyl acetate 4.43
    tetrabutyl urea 4.03
    diisobutyl methanol 0.59
    2-phenylethanol 3.68
    styrene 0.79
    dioctyl adipate 3.79
    dimethyl sulfate 15.93
    ethyl butyrate 3.71
    methyl lactate 6.31
    butyl lactate 4.2
    diethyl carbonate 3.1
    propanediol butyl ether 4.01
    triethyl orthoformate 3.57
    p-tert-butyltoluene 0.51
    methyl 4-tert-butylbenzoate 6.08
    morpholine 14.41
    tert-butylamine 0.36
    n-dodecanol 0.49
    dimethoxymethane 10.87
    ethylene carbonate 7.48
    cyrene 10.84
    2-ethoxyethyl acetate 7.39
    2-ethylhexyl acetate 3.74
    1,2,4-trichlorobenzene 5.93
    4-methylpyridine 8.84
    dibutyl ether 1.06
    2,6-dimethyl-4-heptanol 0.59
    DEF 8.68
    dimethyl isosorbide 16.8
    tetrachloroethylene 9.0
    eugenol 5.96
    triacetin 7.2
    span 80 5.29
    1,4-butanediol 0.84
    1,1-dichloroethane 4.79
    2-methyl-1-pentanol 1.24
    methyl formate 5.57
    2-methyl-1-butanol 1.32
    n-decane 0.05
    butyronitrile 1.99
    3,7-dimethyl-1-octanol 0.99
    1-chlorooctane 0.41
    1-chlorotetradecane 0.19
    n-nonane 0.04
    undecane 0.04
    tert-butylcyclohexane 0.05
    cyclooctane 0.02
    cyclopentanol 3.11
    tetrahydropyran 5.77
    tert-amyl methyl ether 1.32
    2,5,8-trioxanonane 12.32
    1-hexene 0.24
    2-isopropoxyethanol 3.91
    2,2,2-trifluoroethanol 2.5
    methyl butyrate 5.72

    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