4'-Methoxyflavanone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    97005-76-0

    Molecular formula
    C16H14O3

    SMILES
    COC1=CC=C(C=C1)C2CC(=O)C3=CC=CC=C3O2

    Safety labels

  • Odor profile

    Fragrance
    Sweet 79.55%
    Coumarinic 53.75%
    Herbal 51.16%
    Floral 47.85%
    Spicy 46.64%
    Hay 44.42%
    Phenolic 44.11%
    Vanilla 43.26%
    Anisic 40.49%
    Aromatic 39.91%

     

    Flavor
    Bitter 78.42%
    Sweet 52.9%
    Herbal 45.06%
    Balsam 38.66%
    Tonka 38.2%
    Coconut 28.82%
    Vanilla 26.01%
    Powdery 25.76%
    Floral 25.27%
    Anise 24.85%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.57 (neutral)

    Molecular weight
    254.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    423°C

    Flash point

    • 175.27 ˚C est.

  • Synonyms

    • 4'-Methoxyflavanone
    • 97005-76-0
    • 3034-08-0
    • Flavanone, 4'-methoxy-
    • 2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
    • 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-methoxyphenyl)-
    • CHEBI:63329
    • 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-methoxyphenyl)-, (S)-
    • 2,3-dihydro-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
    • (S)-2,3-Dihydro-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
    • RefChem:96032
    • 804-949-9
    • QIUYUYOXCGBABP-UHFFFAOYSA-N
    • 2-(4-methoxyphenyl)chroman-4-one
    • NSC-50187
    • NSC50187
    • MFCD00017704
    • 2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
    • CHEMBL241909
    • ST070122
    • XR5E5L2ZYW
    • 4'-Methoxyflavanone, (S)-
    • 2-(4-Methoxy-phenyl)-chroman-4-one
    • 4''-Methoxyflavanone
    • UNII-XR5E5L2ZYW
    • Oprea1_176638
    • Oprea1_635195
    • MLS000574900
    • SCHEMBL127704
    • MEGxp0_001700
    • orb1683500
    • ACon1_000211
    • 2-(4-Methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
    • DTXSID80914217
    • HMS2194L24
    • HMS3328G04
    • HY-N9246
    • BDBM50310195
    • AKOS024283785
    • EBC-472053
    • FM67336
    • SMR000156254
    • WS-01001
    • (+/-)-2-(4-methoxyphenyl)chroman-4-one
    • DB-047765
    • DB-116312
    • CS-0159089
    • C19895
    • D86466
    • 2-(4-Methoxyphenyl)-2,3-dihydro-4H-chromen-4-one
    • BRD-A59654870-001-01-6
    • 2-(4-Methoxyphenyl)-2,3-dihydro-4H-chromen-4-one #
    • 4H-1-Benzopyran-4-one,3-dihydro-2-(4-methoxyphenyl)-
    • 93921-53-0
    • 97005-76-0

  • Applications

    4'-Methoxyflavanone is mainly used as an organic synthesis intermediate and building block for flavonoid-inspired compounds. In pharmaceutical research, it is considered a scaffold for constructing drug-like molecules and a precursor for further functionalization toward potential therapeutic candidates. In agrochemical development, it may serve as a starting point for synthesizing flavonoid-type derivatives with biological activity relevant to crops. Additionally, it is employed in academic and industrial research as a reference substrate to prepare diversified flavonoid libraries and related natural-product-like compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.73
    methanol 13.25
    isopropanol 9.15
    water 0.05
    ethyl acetate 73.59
    n-propanol 10.31
    acetone 38.93
    n-butanol 10.63
    acetonitrile 89.53
    DMF 50.22
    toluene 41.34
    isobutanol 8.03
    1,4-dioxane 244.72
    methyl acetate 79.6
    THF 178.47
    2-butanone 52.97
    n-pentanol 13.4
    sec-butanol 8.47
    n-hexane 0.44
    ethylene glycol 8.8
    NMP 35.4
    cyclohexane 2.02
    DMSO 140.93
    n-butyl acetate 37.32
    n-octanol 6.45
    chloroform 271.51
    n-propyl acetate 49.76
    acetic acid 50.3
    dichloromethane 332.8
    cyclohexanone 70.74
    propylene glycol 8.83
    isopropyl acetate 39.09
    DMAc 116.61
    2-ethoxyethanol 66.38
    isopentanol 12.49
    n-heptane 1.52
    ethyl formate 38.89
    1,2-dichloroethane 188.87
    n-hexanol 10.44
    2-methoxyethanol 72.19
    isobutyl acetate 31.66
    tetrachloromethane 9.86
    n-pentyl acetate 18.75
    transcutol 419.81
    n-heptanol 6.56
    ethylbenzene 18.41
    MIBK 30.31
    2-propoxyethanol 54.81
    tert-butanol 19.09
    MTBE 20.92
    2-butoxyethanol 28.07
    propionic acid 26.25
    o-xylene 21.61
    formic acid 20.51
    diethyl ether 34.63
    m-xylene 19.4
    p-xylene 23.59
    chlorobenzene 59.47
    dimethyl carbonate 50.27
    n-octane 0.76
    formamide 58.75
    cyclopentanone 76.53
    2-pentanone 34.87
    anisole 68.25
    cyclopentyl methyl ether 42.54
    gamma-butyrolactone 112.15
    1-methoxy-2-propanol 49.71
    pyridine 133.3
    3-pentanone 43.02
    furfural 146.02
    n-dodecane 1.08
    diethylene glycol 62.5
    diisopropyl ether 10.09
    tert-amyl alcohol 12.83
    acetylacetone 92.64
    n-hexadecane 1.32
    acetophenone 64.75
    methyl propionate 52.39
    isopentyl acetate 38.44
    trichloroethylene 341.83
    n-nonanol 8.03
    cyclohexanol 16.61
    benzyl alcohol 42.87
    2-ethylhexanol 10.96
    isooctanol 7.41
    dipropyl ether 26.1
    1,2-dichlorobenzene 59.05
    ethyl lactate 27.89
    propylene carbonate 59.73
    n-methylformamide 33.67
    2-pentanol 8.31
    n-pentane 0.4
    1-propoxy-2-propanol 37.09
    1-methoxy-2-propyl acetate 69.87
    2-(2-methoxypropoxy) propanol 64.02
    mesitylene 11.45
    ε-caprolactone 65.07
    p-cymene 12.72
    epichlorohydrin 237.24
    1,1,1-trichloroethane 82.8
    2-aminoethanol 12.38
    morpholine-4-carbaldehyde 134.29
    sulfolane 106.56
    2,2,4-trimethylpentane 0.85
    2-methyltetrahydrofuran 64.25
    n-hexyl acetate 25.36
    isooctane 0.7
    2-(2-butoxyethoxy)ethanol 79.24
    sec-butyl acetate 35.51
    tert-butyl acetate 42.19
    decalin 2.34
    glycerin 25.93
    diglyme 224.41
    acrylic acid 33.48
    isopropyl myristate 17.69
    n-butyric acid 33.06
    acetyl acetate 73.02
    di(2-ethylhexyl) phthalate 19.46
    ethyl propionate 48.45
    nitromethane 159.67
    1,2-diethoxyethane 115.84
    benzonitrile 63.96
    trioctyl phosphate 10.71
    1-bromopropane 35.25
    gamma-valerolactone 124.63
    n-decanol 7.14
    triethyl phosphate 34.38
    4-methyl-2-pentanol 7.57
    propionitrile 53.12
    vinylene carbonate 74.09
    1,1,2-trichlorotrifluoroethane 111.61
    DMS 61.44
    cumene 12.14
    2-octanol 4.37
    2-hexanone 38.94
    octyl acetate 17.91
    limonene 14.54
    1,2-dimethoxyethane 162.89
    ethyl orthosilicate 29.91
    tributyl phosphate 18.17
    diacetone alcohol 44.19
    N,N-dimethylaniline 36.71
    acrylonitrile 87.68
    aniline 47.88
    1,3-propanediol 24.05
    bromobenzene 67.17
    dibromomethane 133.45
    1,1,2,2-tetrachloroethane 196.65
    2-methyl-cyclohexyl acetate 39.77
    tetrabutyl urea 23.72
    diisobutyl methanol 10.16
    2-phenylethanol 33.82
    styrene 27.65
    dioctyl adipate 35.14
    dimethyl sulfate 67.65
    ethyl butyrate 45.5
    methyl lactate 32.12
    butyl lactate 19.02
    diethyl carbonate 44.02
    propanediol butyl ether 21.81
    triethyl orthoformate 42.8
    p-tert-butyltoluene 11.29
    methyl 4-tert-butylbenzoate 44.23
    morpholine 160.56
    tert-butylamine 8.32
    n-dodecanol 6.42
    dimethoxymethane 99.7
    ethylene carbonate 62.24
    cyrene 56.49
    2-ethoxyethyl acetate 59.3
    2-ethylhexyl acetate 31.25
    1,2,4-trichlorobenzene 71.75
    4-methylpyridine 76.33
    dibutyl ether 22.67
    2,6-dimethyl-4-heptanol 10.16
    DEF 48.03
    dimethyl isosorbide 118.81
    tetrachloroethylene 104.61
    eugenol 43.49
    triacetin 71.01
    span 80 31.56
    1,4-butanediol 12.69
    1,1-dichloroethane 88.14
    2-methyl-1-pentanol 14.71
    methyl formate 38.43
    2-methyl-1-butanol 10.25
    n-decane 1.52
    butyronitrile 32.94
    3,7-dimethyl-1-octanol 11.5
    1-chlorooctane 7.3
    1-chlorotetradecane 4.34
    n-nonane 1.16
    undecane 1.25
    tert-butylcyclohexane 1.9
    cyclooctane 0.92
    cyclopentanol 14.73
    tetrahydropyran 80.86
    tert-amyl methyl ether 17.21
    2,5,8-trioxanonane 159.14
    1-hexene 3.48
    2-isopropoxyethanol 45.75
    2,2,2-trifluoroethanol 29.66
    methyl butyrate 52.05

    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