Isokaempferide

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1592-70-7

    Molecular formula
    C16H12O6

    SMILES
    COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O

    Safety labels

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 64.81%
    Odorless 44.11%
    Burnt 36.46%
    Medicinal 30.41%
    Smoky 30.14%
    Vanilla 27.74%
    Spicy 27.66%
    Balsamic 22.63%
    Animal 22.6%
    Fruity 21.75%

     

    Flavor
    Bitter 93.17%
    Odorless 23.34%
    Sweet-like 20.86%
    Parsley 20.75%
    Cedarleaf 20.75%
    Eugenol 20.43%
    Very strong 20.37%
    Bland 20.36%
    Lovage 20.3%
    Indole 20.2%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    9.86 (weak base)

    Molecular weight
    300.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    761°C

    Flash point

    • 226.57 ˚C est.

  • Synonyms

    • Isokaempferide
    • 1592-70-7
    • 3-Methylkaempferol
    • Kaempferol 3-methyl ether
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
    • DTXSID90166609
    • RefChem:791886
    • DTXCID9089100
    • 4-Vinylbenzylchloride
    • 3-Methoxyapigenin
    • 3-O-Methylkaempferol
    • kaempferol-3-O-methyl ether
    • 5,7,4'-trihydroxy-3-methoxyflavone
    • CHEMBL165064
    • 4H-1-BENZOPYRAN-4-ONE, 5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-3-METHOXY-
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-chromen-4-one
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-4H-1-benzopyran-4-one
    • 3-Methylkempferol
    • Kaempferol 3-O-methyl ether
    • kaempferol-3-methyl ether
    • MLS000877008
    • 3-MK
    • CHEBI:1579
    • MEGxp0_000171
    • orb1682337
    • SCHEMBL1628023
    • SCHEMBL4637442
    • SCHEMBL29721227
    • ACon1_001687
    • cid_5280862
    • HMS2271C11
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-4H-chromen-4-one
    • HY-N3476
    • BDBM50240899
    • LMPK12112688
    • AKOS032949069
    • FS-8068
    • DA-74561
    • Isokaempferide, >=90% (LC/MS-ELSD)
    • SMR000440661
    • XI179939
    • CS-0024337
    • NS00097254
    • C05902
    • H50737
    • SR-01000780605
    • SR-01000780605-2
    • BRD-K52080570-001-01-2
    • Q27105473
    • 5,7-Dihydroxy-2-(4-hydroxy-phenyl)-3-methoxy-chromen-4-one
    • 1592-70-7

  • Applications

    Isokaempferide (CAS 1592-70-7) is a natural flavonoid studied for a range of industrial applications. In pharmaceutical research and synthesis, it is commonly used as a starting material or reference scaffold for the preparation of flavonoid derivatives. In cosmetics and personal care, it is evaluated as an antioxidant and formulation stabilizer to improve product longevity. In polymers and coatings, it can be employed as an antioxidant/stabilizing additive to enhance aging resistance of plastics and coatings. In agriculture and agrochemical research, it is investigated for potential bioactive properties and as a lead compound in plant-based product development. Actual use and concentrations are subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.56
    methanol 1.56
    isopropanol 1.57
    water 0.0
    ethyl acetate 1.78
    n-propanol 2.32
    acetone 3.96
    n-butanol 2.45
    acetonitrile 1.19
    DMF 39.12
    toluene 0.16
    isobutanol 1.7
    1,4-dioxane 4.37
    methyl acetate 2.27
    THF 45.8
    2-butanone 6.36
    n-pentanol 2.5
    sec-butanol 2.44
    n-hexane 0.01
    ethylene glycol 2.57
    NMP 39.19
    cyclohexane 0.01
    DMSO 368.57
    n-butyl acetate 2.89
    n-octanol 1.97
    chloroform 0.06
    n-propyl acetate 2.85
    acetic acid 4.23
    dichloromethane 0.11
    cyclohexanone 10.51
    propylene glycol 4.61
    isopropyl acetate 1.51
    DMAc 43.37
    2-ethoxyethanol 15.91
    isopentanol 2.69
    n-heptane 0.02
    ethyl formate 2.17
    1,2-dichloroethane 0.35
    n-hexanol 1.9
    2-methoxyethanol 38.84
    isobutyl acetate 1.55
    tetrachloromethane 0.01
    n-pentyl acetate 2.52
    transcutol 53.98
    n-heptanol 1.84
    ethylbenzene 0.16
    MIBK 2.75
    2-propoxyethanol 18.84
    tert-butanol 2.82
    MTBE 0.82
    2-butoxyethanol 9.97
    propionic acid 2.73
    o-xylene 0.18
    formic acid 2.97
    diethyl ether 0.56
    m-xylene 0.16
    p-xylene 0.25
    chlorobenzene 0.16
    dimethyl carbonate 2.32
    n-octane 0.02
    formamide 8.13
    cyclopentanone 23.35
    2-pentanone 4.42
    anisole 1.06
    cyclopentyl methyl ether 3.81
    gamma-butyrolactone 22.71
    1-methoxy-2-propanol 29.28
    pyridine 3.85
    3-pentanone 1.99
    furfural 15.93
    n-dodecane 0.03
    diethylene glycol 23.8
    diisopropyl ether 0.15
    tert-amyl alcohol 2.79
    acetylacetone 6.84
    n-hexadecane 0.04
    acetophenone 2.62
    methyl propionate 3.27
    isopentyl acetate 2.86
    trichloroethylene 0.71
    n-nonanol 2.19
    cyclohexanol 2.44
    benzyl alcohol 2.66
    2-ethylhexanol 1.46
    isooctanol 1.68
    dipropyl ether 1.17
    1,2-dichlorobenzene 0.2
    ethyl lactate 4.62
    propylene carbonate 5.31
    n-methylformamide 9.82
    2-pentanol 1.43
    n-pentane 0.01
    1-propoxy-2-propanol 13.06
    1-methoxy-2-propyl acetate 7.75
    2-(2-methoxypropoxy) propanol 13.72
    mesitylene 0.1
    ε-caprolactone 9.79
    p-cymene 0.35
    epichlorohydrin 21.54
    1,1,1-trichloroethane 0.1
    2-aminoethanol 4.46
    morpholine-4-carbaldehyde 32.83
    sulfolane 69.65
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 7.7
    n-hexyl acetate 3.73
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 19.4
    sec-butyl acetate 1.54
    tert-butyl acetate 2.59
    decalin 0.02
    glycerin 18.28
    diglyme 31.5
    acrylic acid 3.98
    isopropyl myristate 1.51
    n-butyric acid 3.7
    acetyl acetate 0.96
    di(2-ethylhexyl) phthalate 2.61
    ethyl propionate 2.17
    nitromethane 14.13
    1,2-diethoxyethane 5.04
    benzonitrile 1.81
    trioctyl phosphate 2.03
    1-bromopropane 0.18
    gamma-valerolactone 43.42
    n-decanol 1.63
    triethyl phosphate 1.95
    4-methyl-2-pentanol 1.1
    propionitrile 1.56
    vinylene carbonate 3.54
    1,1,2-trichlorotrifluoroethane 22.44
    DMS 3.26
    cumene 0.16
    2-octanol 1.28
    2-hexanone 4.67
    octyl acetate 2.21
    limonene 0.48
    1,2-dimethoxyethane 23.46
    ethyl orthosilicate 1.65
    tributyl phosphate 2.42
    diacetone alcohol 13.21
    N,N-dimethylaniline 1.15
    acrylonitrile 3.51
    aniline 1.08
    1,3-propanediol 9.48
    bromobenzene 0.09
    dibromomethane 0.06
    1,1,2,2-tetrachloroethane 0.73
    2-methyl-cyclohexyl acetate 2.53
    tetrabutyl urea 4.48
    diisobutyl methanol 1.02
    2-phenylethanol 2.94
    styrene 0.14
    dioctyl adipate 3.28
    dimethyl sulfate 8.48
    ethyl butyrate 2.34
    methyl lactate 9.13
    butyl lactate 5.66
    diethyl carbonate 1.41
    propanediol butyl ether 11.86
    triethyl orthoformate 2.46
    p-tert-butyltoluene 0.32
    methyl 4-tert-butylbenzoate 5.04
    morpholine 13.54
    tert-butylamine 0.57
    n-dodecanol 1.14
    dimethoxymethane 14.61
    ethylene carbonate 2.64
    cyrene 15.35
    2-ethoxyethyl acetate 5.22
    2-ethylhexyl acetate 1.95
    1,2,4-trichlorobenzene 0.43
    4-methylpyridine 2.9
    dibutyl ether 1.55
    2,6-dimethyl-4-heptanol 1.02
    DEF 7.93
    dimethyl isosorbide 20.8
    tetrachloroethylene 0.31
    eugenol 6.66
    triacetin 5.25
    span 80 9.15
    1,4-butanediol 2.66
    1,1-dichloroethane 0.11
    2-methyl-1-pentanol 2.66
    methyl formate 5.81
    2-methyl-1-butanol 2.51
    n-decane 0.05
    butyronitrile 1.69
    3,7-dimethyl-1-octanol 1.84
    1-chlorooctane 0.35
    1-chlorotetradecane 0.18
    n-nonane 0.03
    undecane 0.04
    tert-butylcyclohexane 0.02
    cyclooctane 0.01
    cyclopentanol 4.16
    tetrahydropyran 2.7
    tert-amyl methyl ether 1.23
    2,5,8-trioxanonane 23.24
    1-hexene 0.11
    2-isopropoxyethanol 8.77
    2,2,2-trifluoroethanol 1.52
    methyl butyrate 4.05

    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