5-Methoxyflavanone

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  • Identifiers

    CAS number
    55947-36-9

    Molecular formula
    C16H14O3

    SMILES
    COC1=CC=CC2=C1C(=O)CC(O2)C3=CC=CC=C3

    Safety labels

  • Odor profile

    Fragrance
    Sweet 73.24%
    Spicy 51.07%
    Herbal 47.91%
    Coumarinic 47.22%
    Floral 39.78%
    Vanilla 37.99%
    Phenolic 37.45%
    Hay 36.89%
    Aromatic 35.18%
    Powdery 34.54%

     

    Flavor
    Bitter 76.96%
    Herbal 44.08%
    Balsam 32.41%
    Tonka 27.35%
    Sweet 25.52%
    Lovage 21.47%
    Celery 20.41%
    Floral 20.2%
    Parsley 19.92%
    Warm 19.86%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.92 (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

    • 175.68 ˚C est.

  • Synonyms

    • 5-Methoxyflavanone
    • 55947-36-9
    • 5-methoxy-2-phenylchroman-4-one
    • 123931-32-8
    • 5-methoxy-2-phenyl-2,3-dihydrochromen-4-one
    • 4H-1-Benzopyran-4-one, 2,3-dihydro-5-methoxy-2-phenyl-
    • MFCD00017479
    • 5-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
    • ST069305
    • 5-Methoxy-2-phenyl-chroman-4-one
    • Oprea1_077693
    • SCHEMBL126041
    • CHEMBL317869
    • MEGxp0_001701
    • orb1684834
    • SCHEMBL31572407
    • ACon1_000013
    • DTXSID70924643
    • YLLFUILNISGLHO-UHFFFAOYSA-N
    • YEA93132
    • AKOS024283488
    • FM67595
    • NCGC00142594-01
    • NCGC00142594-02
    • DB-052823
    • HY-134558
    • CS-0145394
    • BRD-A61535988-001-01-2
    • 5-Methoxy-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one
    • 123931-32-8

  • Applications

    5-Methoxyflavanone (CAS 55947-36-9) is primarily used as a synthetic intermediate in the preparation of flavonoid-derived compounds, serving as a building block in pharmaceutical research and the development of related organic molecules. It is employed as a research reagent in organic synthesis and may be explored as a fragrance intermediate in perfumery and flavor chemistry. In cosmetics and personal care, it can act as a precursor for fragrance components or antioxidant-related derivatives. In materials science, it may be evaluated as a functionalized aromatic building block for specialty polymers, coatings, or inks. All applications are pursued under appropriate regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.33
    methanol 18.26
    isopropanol 11.72
    water 0.03
    ethyl acetate 100.95
    n-propanol 13.62
    acetone 159.61
    n-butanol 14.24
    acetonitrile 130.84
    DMF 192.06
    toluene 72.36
    isobutanol 12.27
    1,4-dioxane 284.11
    methyl acetate 124.03
    THF 361.71
    2-butanone 106.13
    n-pentanol 15.45
    sec-butanol 10.97
    n-hexane 1.31
    ethylene glycol 13.74
    NMP 152.65
    cyclohexane 6.08
    DMSO 433.83
    n-butyl acetate 59.31
    n-octanol 11.81
    chloroform 525.62
    n-propyl acetate 63.65
    acetic acid 61.11
    dichloromethane 594.38
    cyclohexanone 173.38
    propylene glycol 10.47
    isopropyl acetate 54.37
    DMAc 242.4
    2-ethoxyethanol 59.65
    isopentanol 17.84
    n-heptane 2.41
    ethyl formate 71.91
    1,2-dichloroethane 402.56
    n-hexanol 17.95
    2-methoxyethanol 94.78
    isobutyl acetate 44.36
    tetrachloromethane 26.39
    n-pentyl acetate 29.8
    transcutol 269.75
    n-heptanol 10.44
    ethylbenzene 29.98
    MIBK 53.73
    2-propoxyethanol 68.37
    tert-butanol 23.22
    MTBE 27.85
    2-butoxyethanol 34.88
    propionic acid 38.53
    o-xylene 33.16
    formic acid 19.72
    diethyl ether 41.92
    m-xylene 34.55
    p-xylene 36.75
    chlorobenzene 125.15
    dimethyl carbonate 84.91
    n-octane 1.46
    formamide 56.22
    cyclopentanone 267.08
    2-pentanone 74.03
    anisole 84.02
    cyclopentyl methyl ether 82.75
    gamma-butyrolactone 281.54
    1-methoxy-2-propanol 59.79
    pyridine 210.82
    3-pentanone 72.19
    furfural 272.28
    n-dodecane 2.27
    diethylene glycol 79.57
    diisopropyl ether 13.68
    tert-amyl alcohol 15.74
    acetylacetone 171.86
    n-hexadecane 2.74
    acetophenone 84.12
    methyl propionate 87.68
    isopentyl acetate 57.59
    trichloroethylene 683.65
    n-nonanol 12.83
    cyclohexanol 28.62
    benzyl alcohol 54.53
    2-ethylhexanol 18.63
    isooctanol 11.09
    dipropyl ether 31.27
    1,2-dichlorobenzene 114.1
    ethyl lactate 39.5
    propylene carbonate 127.86
    n-methylformamide 76.79
    2-pentanol 9.94
    n-pentane 1.0
    1-propoxy-2-propanol 46.35
    1-methoxy-2-propyl acetate 89.53
    2-(2-methoxypropoxy) propanol 66.69
    mesitylene 20.51
    ε-caprolactone 116.48
    p-cymene 20.95
    epichlorohydrin 438.88
    1,1,1-trichloroethane 190.95
    2-aminoethanol 15.09
    morpholine-4-carbaldehyde 196.66
    sulfolane 322.82
    2,2,4-trimethylpentane 1.7
    2-methyltetrahydrofuran 120.03
    n-hexyl acetate 40.84
    isooctane 1.62
    2-(2-butoxyethoxy)ethanol 73.69
    sec-butyl acetate 42.31
    tert-butyl acetate 61.01
    decalin 5.3
    glycerin 31.31
    diglyme 186.13
    acrylic acid 51.14
    isopropyl myristate 26.08
    n-butyric acid 47.33
    acetyl acetate 97.66
    di(2-ethylhexyl) phthalate 29.86
    ethyl propionate 60.71
    nitromethane 258.02
    1,2-diethoxyethane 88.06
    benzonitrile 98.69
    trioctyl phosphate 18.51
    1-bromopropane 80.35
    gamma-valerolactone 261.26
    n-decanol 11.07
    triethyl phosphate 42.79
    4-methyl-2-pentanol 10.99
    propionitrile 66.44
    vinylene carbonate 140.51
    1,1,2-trichlorotrifluoroethane 189.65
    DMS 88.35
    cumene 19.73
    2-octanol 7.49
    2-hexanone 57.72
    octyl acetate 28.94
    limonene 24.94
    1,2-dimethoxyethane 154.79
    ethyl orthosilicate 36.54
    tributyl phosphate 29.05
    diacetone alcohol 65.73
    N,N-dimethylaniline 46.81
    acrylonitrile 125.04
    aniline 73.75
    1,3-propanediol 28.22
    bromobenzene 146.92
    dibromomethane 303.92
    1,1,2,2-tetrachloroethane 420.71
    2-methyl-cyclohexyl acetate 50.01
    tetrabutyl urea 38.44
    diisobutyl methanol 15.71
    2-phenylethanol 49.9
    styrene 43.25
    dioctyl adipate 46.0
    dimethyl sulfate 147.93
    ethyl butyrate 57.94
    methyl lactate 51.53
    butyl lactate 30.01
    diethyl carbonate 53.9
    propanediol butyl ether 28.78
    triethyl orthoformate 46.5
    p-tert-butyltoluene 18.66
    methyl 4-tert-butylbenzoate 58.48
    morpholine 191.0
    tert-butylamine 12.57
    n-dodecanol 9.98
    dimethoxymethane 163.32
    ethylene carbonate 112.61
    cyrene 75.23
    2-ethoxyethyl acetate 66.16
    2-ethylhexyl acetate 46.27
    1,2,4-trichlorobenzene 133.15
    4-methylpyridine 136.11
    dibutyl ether 28.37
    2,6-dimethyl-4-heptanol 15.71
    DEF 86.71
    dimethyl isosorbide 130.59
    tetrachloroethylene 214.78
    eugenol 57.8
    triacetin 76.06
    span 80 39.4
    1,4-butanediol 14.11
    1,1-dichloroethane 203.24
    2-methyl-1-pentanol 18.32
    methyl formate 94.33
    2-methyl-1-butanol 13.75
    n-decane 3.01
    butyronitrile 53.22
    3,7-dimethyl-1-octanol 16.83
    1-chlorooctane 14.7
    1-chlorotetradecane 8.67
    n-nonane 2.43
    undecane 2.58
    tert-butylcyclohexane 4.04
    cyclooctane 2.16
    cyclopentanol 33.5
    tetrahydropyran 135.63
    tert-amyl methyl ether 22.85
    2,5,8-trioxanonane 137.52
    1-hexene 7.57
    2-isopropoxyethanol 43.83
    2,2,2-trifluoroethanol 41.39
    methyl butyrate 77.15

    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