3-(4-Hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    30564-92-2

    Molecular formula
    C17H14O5

    SMILES
    COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=C(C=C3)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 77.32%
    Vanilla 64.05%
    Phenolic 61.58%
    Spicy 48.27%
    Powdery 45.44%
    Balsamic 40.84%
    Smoky 40.24%
    Creamy 38.58%
    Woody 34.18%
    Medicinal 32.36%

     

    Flavor
    Bitter 91.67%
    Parsley 20.08%
    Eugenol 19.86%
    Lovage 19.22%
    Cedarleaf 18.97%
    Sweet-like 18.81%
    Curry 18.81%
    Ham 18.75%
    Vanilla 18.71%
    Very strong 18.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.21 (weak base)

    Molecular weight
    298.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    528°C

    Melting point expt.

    • 165 - 166 °C

    Flash point

    • 196.92 ˚C est.

  • Synonyms

    • Sayanedine
    • 30564-92-2
    • 3-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one
    • DTXSID40331961
    • 3-(4-Hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
    • RefChem:1066859
    • DTXCID20283055
    • Sayanedin
    • CHEBI:9045
    • 4'-hydroxy-3',7-dimethoxyflavone
    • 3'-methoxydaidzein-7-O-methyl ether
    • LMPK12050054
    • DB-228349
    • Q27108248
    • 30564-92-2

  • Applications

    3-(4-Hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one (CAS 30564-92-2) is primarily used as an intermediate and building block in organic synthesis, notably for flavonoid derivatives; in practice, it is often evaluated for antioxidant properties and used as a stabilizer or functional additive in cosmetics and personal care formulations; it may serve as a fragrance precursor or odor-active component in perfumery; it can be employed as a research chemical and scaffold in pharmaceutical discovery and medicinal chemistry; and in polymer and coating formulations it may act as a UV absorber or antioxidant additive to enhance durability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.36
    methanol 0.3
    isopropanol 0.53
    water 0.0
    ethyl acetate 1.53
    n-propanol 0.74
    acetone 1.9
    n-butanol 0.64
    acetonitrile 1.17
    DMF 7.35
    toluene 0.61
    isobutanol 0.6
    1,4-dioxane 5.88
    methyl acetate 2.36
    THF 20.24
    2-butanone 3.65
    n-pentanol 0.66
    sec-butanol 1.07
    n-hexane 0.04
    ethylene glycol 0.43
    NMP 7.34
    cyclohexane 0.07
    DMSO 29.3
    n-butyl acetate 1.42
    n-octanol 0.34
    chloroform 3.69
    n-propyl acetate 1.61
    acetic acid 2.42
    dichloromethane 6.24
    cyclohexanone 4.86
    propylene glycol 0.55
    isopropyl acetate 1.44
    DMAc 16.53
    2-ethoxyethanol 4.04
    isopentanol 0.88
    n-heptane 0.07
    ethyl formate 0.91
    1,2-dichloroethane 4.75
    n-hexanol 0.58
    2-methoxyethanol 5.18
    isobutyl acetate 1.0
    tetrachloromethane 0.22
    n-pentyl acetate 1.21
    transcutol 20.27
    n-heptanol 0.52
    ethylbenzene 0.42
    MIBK 1.55
    2-propoxyethanol 4.49
    tert-butanol 1.27
    MTBE 1.51
    2-butoxyethanol 2.69
    propionic acid 1.49
    o-xylene 0.56
    formic acid 1.06
    diethyl ether 1.41
    m-xylene 0.35
    p-xylene 0.61
    chlorobenzene 0.81
    dimethyl carbonate 1.94
    n-octane 0.03
    formamide 2.86
    cyclopentanone 7.68
    2-pentanone 1.74
    anisole 1.92
    cyclopentyl methyl ether 3.16
    gamma-butyrolactone 8.46
    1-methoxy-2-propanol 4.1
    pyridine 5.41
    3-pentanone 2.24
    furfural 8.32
    n-dodecane 0.03
    diethylene glycol 4.32
    diisopropyl ether 0.49
    tert-amyl alcohol 1.68
    acetylacetone 3.65
    n-hexadecane 0.04
    acetophenone 2.5
    methyl propionate 2.13
    isopentyl acetate 1.95
    trichloroethylene 9.16
    n-nonanol 0.51
    cyclohexanol 1.17
    benzyl alcohol 1.67
    2-ethylhexanol 0.75
    isooctanol 0.65
    dipropyl ether 1.79
    1,2-dichlorobenzene 1.21
    ethyl lactate 1.54
    propylene carbonate 2.6
    n-methylformamide 2.06
    2-pentanol 0.6
    n-pentane 0.03
    1-propoxy-2-propanol 3.25
    1-methoxy-2-propyl acetate 4.14
    2-(2-methoxypropoxy) propanol 6.0
    mesitylene 0.26
    ε-caprolactone 4.44
    p-cymene 0.53
    epichlorohydrin 17.29
    1,1,1-trichloroethane 1.51
    2-aminoethanol 0.8
    morpholine-4-carbaldehyde 12.04
    sulfolane 19.74
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 5.44
    n-hexyl acetate 1.29
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 5.73
    sec-butyl acetate 1.32
    tert-butyl acetate 2.57
    decalin 0.08
    glycerin 2.49
    diglyme 16.77
    acrylic acid 2.04
    isopropyl myristate 0.91
    n-butyric acid 1.4
    acetyl acetate 1.42
    di(2-ethylhexyl) phthalate 1.36
    ethyl propionate 1.96
    nitromethane 7.32
    1,2-diethoxyethane 4.94
    benzonitrile 1.44
    trioctyl phosphate 0.71
    1-bromopropane 1.33
    gamma-valerolactone 12.03
    n-decanol 0.41
    triethyl phosphate 2.35
    4-methyl-2-pentanol 0.53
    propionitrile 1.3
    vinylene carbonate 2.44
    1,1,2-trichlorotrifluoroethane 11.27
    DMS 2.8
    cumene 0.38
    2-octanol 0.34
    2-hexanone 2.02
    octyl acetate 0.97
    limonene 0.72
    1,2-dimethoxyethane 10.75
    ethyl orthosilicate 2.22
    tributyl phosphate 1.1
    diacetone alcohol 4.07
    N,N-dimethylaniline 1.86
    acrylonitrile 2.36
    aniline 1.5
    1,3-propanediol 1.5
    bromobenzene 0.8
    dibromomethane 2.4
    1,1,2,2-tetrachloroethane 6.67
    2-methyl-cyclohexyl acetate 2.47
    tetrabutyl urea 1.73
    diisobutyl methanol 0.75
    2-phenylethanol 1.7
    styrene 0.44
    dioctyl adipate 2.14
    dimethyl sulfate 6.28
    ethyl butyrate 2.16
    methyl lactate 2.26
    butyl lactate 1.61
    diethyl carbonate 1.92
    propanediol butyl ether 1.68
    triethyl orthoformate 2.83
    p-tert-butyltoluene 0.52
    methyl 4-tert-butylbenzoate 3.66
    morpholine 8.08
    tert-butylamine 0.56
    n-dodecanol 0.33
    dimethoxymethane 5.81
    ethylene carbonate 1.76
    cyrene 5.71
    2-ethoxyethyl acetate 3.45
    2-ethylhexyl acetate 1.58
    1,2,4-trichlorobenzene 1.98
    4-methylpyridine 2.55
    dibutyl ether 1.19
    2,6-dimethyl-4-heptanol 0.75
    DEF 3.62
    dimethyl isosorbide 12.01
    tetrachloroethylene 3.76
    eugenol 3.95
    triacetin 3.43
    span 80 3.1
    1,4-butanediol 0.57
    1,1-dichloroethane 1.43
    2-methyl-1-pentanol 1.05
    methyl formate 1.62
    2-methyl-1-butanol 0.88
    n-decane 0.06
    butyronitrile 0.87
    3,7-dimethyl-1-octanol 0.62
    1-chlorooctane 0.29
    1-chlorotetradecane 0.15
    n-nonane 0.04
    undecane 0.04
    tert-butylcyclohexane 0.07
    cyclooctane 0.03
    cyclopentanol 1.53
    tetrahydropyran 3.83
    tert-amyl methyl ether 1.8
    2,5,8-trioxanonane 12.71
    1-hexene 0.23
    2-isopropoxyethanol 3.02
    2,2,2-trifluoroethanol 1.21
    methyl butyrate 2.22

    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