6-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone

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  • Identifiers

    CAS number
    6878-08-6

    Molecular formula
    C17H15NO2

    SMILES
    CN1C2=C(C=C(C=C2)OC)C(=O)C=C1C3=CC=CC=C3

    Safety labels

  • Odor profile

    Fragrance
    Floral 63.39%
    Sweet 53.13%
    Fruity 51.76%
    Neroli 45.01%
    Grape 39.61%
    Powdery 39.39%
    Animal 34.62%
    Orange 34.26%
    Phenolic 30.8%
    Honey 27.25%

     

    Flavor
    Bitter 93.78%
    Very strong 20.64%
    Indole 20.2%
    Nitrile 19.78%
    Lovage 19.71%
    Cedarleaf 19.52%
    Parsley 19.02%
    Moth ball 18.98%
    Naphthelene 18.85%
    Broom 18.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.0 (weak acid)

    Molecular weight
    265.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    506°C

    Melting point expt.

    • 187 - 188 °C

    Flash point

    • 204.7 ˚C est.

  • Synonyms

    • Eduline
    • 9CR4RV2MWM
    • 6-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone
    • 6878-08-6
    • 6-methoxy-1-methyl-2-phenyl-1,4-dihydroquinolin-4-one
    • RefChem:914007
    • 6-methoxy-1-methyl-2-phenylquinolin-4-one
    • UNII-9CR4RV2MWM
    • 4(1H)-Quinolinone, 6-methoxy-1-methyl-2-phenyl-
    • MLS000549197
    • Oprea1_078715
    • CHEMBL1415524
    • GFUAPSNFZWUMBP-UHFFFAOYSA-N
    • DTXSID101382618
    • HMS2342N18
    • SMR000113847
    • NS00094218
    • AB00471760-08
    • AE-562/12222922
    • 6-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone #
    • 6-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone, 9CI
    • 6-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone (eduline)
    • 6878-08-6

  • Applications

    6-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone, CAS 6878-08-6, is commonly used as an intermediate in pharmaceutical synthesis and serves as a quinolinone framework building block in medicinal chemistry, supporting lead discovery and library construction; in research and development, it is often used as a building block for quinolinone derivatives and related compounds and can act as a precursor for synthetic reactions at laboratory scale. Additionally, it has potential as a precursor for functionalized heterocycles in materials research and chemical synthesis at the laboratory scale, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.34
    methanol 8.79
    isopropanol 4.55
    water 0.03
    ethyl acetate 18.64
    n-propanol 7.99
    acetone 15.46
    n-butanol 6.28
    acetonitrile 15.16
    DMF 42.38
    toluene 12.09
    isobutanol 5.52
    1,4-dioxane 55.24
    methyl acetate 23.29
    THF 72.83
    2-butanone 19.37
    n-pentanol 5.68
    sec-butanol 3.83
    n-hexane 0.13
    ethylene glycol 5.16
    NMP 23.35
    cyclohexane 0.47
    DMSO 48.28
    n-butyl acetate 11.08
    n-octanol 1.85
    chloroform 122.25
    n-propyl acetate 14.33
    acetic acid 25.62
    dichloromethane 201.72
    cyclohexanone 30.6
    propylene glycol 2.09
    isopropyl acetate 10.88
    DMAc 53.74
    2-ethoxyethanol 24.29
    isopentanol 6.92
    n-heptane 0.34
    ethyl formate 13.74
    1,2-dichloroethane 130.58
    n-hexanol 5.71
    2-methoxyethanol 34.29
    isobutyl acetate 11.28
    tetrachloromethane 5.89
    n-pentyl acetate 6.82
    transcutol 62.85
    n-heptanol 3.41
    ethylbenzene 6.57
    MIBK 10.7
    2-propoxyethanol 22.7
    tert-butanol 6.97
    MTBE 5.88
    2-butoxyethanol 13.19
    propionic acid 11.44
    o-xylene 6.98
    formic acid 15.48
    diethyl ether 10.06
    m-xylene 6.48
    p-xylene 9.33
    chlorobenzene 24.47
    dimethyl carbonate 17.14
    n-octane 0.2
    formamide 37.47
    cyclopentanone 39.74
    2-pentanone 12.01
    anisole 19.24
    cyclopentyl methyl ether 16.57
    gamma-butyrolactone 55.14
    1-methoxy-2-propanol 14.13
    pyridine 62.12
    3-pentanone 13.77
    furfural 70.2
    n-dodecane 0.24
    diethylene glycol 27.61
    diisopropyl ether 2.63
    tert-amyl alcohol 4.7
    acetylacetone 24.83
    n-hexadecane 0.29
    acetophenone 22.31
    methyl propionate 18.17
    isopentyl acetate 13.5
    trichloroethylene 221.8
    n-nonanol 2.47
    cyclohexanol 6.34
    benzyl alcohol 16.69
    2-ethylhexanol 4.74
    isooctanol 3.61
    dipropyl ether 7.01
    1,2-dichlorobenzene 26.42
    ethyl lactate 7.22
    propylene carbonate 22.0
    n-methylformamide 21.74
    2-pentanol 2.97
    n-pentane 0.13
    1-propoxy-2-propanol 10.54
    1-methoxy-2-propyl acetate 19.47
    2-(2-methoxypropoxy) propanol 15.25
    mesitylene 3.48
    ε-caprolactone 25.0
    p-cymene 5.25
    epichlorohydrin 133.62
    1,1,1-trichloroethane 40.45
    2-aminoethanol 7.53
    morpholine-4-carbaldehyde 53.5
    sulfolane 47.95
    2,2,4-trimethylpentane 0.27
    2-methyltetrahydrofuran 24.87
    n-hexyl acetate 6.4
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 18.41
    sec-butyl acetate 10.43
    tert-butyl acetate 12.06
    decalin 0.65
    glycerin 8.47
    diglyme 52.04
    acrylic acid 16.1
    isopropyl myristate 4.27
    n-butyric acid 13.67
    acetyl acetate 17.23
    di(2-ethylhexyl) phthalate 6.79
    ethyl propionate 14.32
    nitromethane 64.13
    1,2-diethoxyethane 19.0
    benzonitrile 19.62
    trioctyl phosphate 3.44
    1-bromopropane 19.71
    gamma-valerolactone 66.28
    n-decanol 2.09
    triethyl phosphate 11.04
    4-methyl-2-pentanol 3.14
    propionitrile 15.75
    vinylene carbonate 29.84
    1,1,2-trichlorotrifluoroethane 58.48
    DMS 15.76
    cumene 5.2
    2-octanol 1.81
    2-hexanone 13.16
    octyl acetate 4.64
    limonene 5.0
    1,2-dimethoxyethane 49.66
    ethyl orthosilicate 10.82
    tributyl phosphate 4.84
    diacetone alcohol 14.26
    N,N-dimethylaniline 12.0
    acrylonitrile 28.61
    aniline 17.42
    1,3-propanediol 13.27
    bromobenzene 24.58
    dibromomethane 75.53
    1,1,2,2-tetrachloroethane 111.31
    2-methyl-cyclohexyl acetate 13.77
    tetrabutyl urea 7.16
    diisobutyl methanol 4.01
    2-phenylethanol 16.9
    styrene 8.25
    dioctyl adipate 8.49
    dimethyl sulfate 27.15
    ethyl butyrate 12.89
    methyl lactate 8.23
    butyl lactate 6.11
    diethyl carbonate 12.34
    propanediol butyl ether 5.61
    triethyl orthoformate 11.28
    p-tert-butyltoluene 4.24
    methyl 4-tert-butylbenzoate 15.4
    morpholine 49.66
    tert-butylamine 3.29
    n-dodecanol 1.82
    dimethoxymethane 38.94
    ethylene carbonate 21.74
    cyrene 19.43
    2-ethoxyethyl acetate 17.17
    2-ethylhexyl acetate 10.7
    1,2,4-trichlorobenzene 33.96
    4-methylpyridine 32.96
    dibutyl ether 4.5
    2,6-dimethyl-4-heptanol 4.01
    DEF 18.49
    dimethyl isosorbide 36.73
    tetrachloroethylene 75.84
    eugenol 17.63
    triacetin 13.1
    span 80 8.91
    1,4-butanediol 4.98
    1,1-dichloroethane 41.17
    2-methyl-1-pentanol 7.12
    methyl formate 20.95
    2-methyl-1-butanol 5.76
    n-decane 0.34
    butyronitrile 11.05
    3,7-dimethyl-1-octanol 3.26
    1-chlorooctane 1.99
    1-chlorotetradecane 1.15
    n-nonane 0.25
    undecane 0.28
    tert-butylcyclohexane 0.56
    cyclooctane 0.16
    cyclopentanol 7.8
    tetrahydropyran 26.6
    tert-amyl methyl ether 5.05
    2,5,8-trioxanonane 36.08
    1-hexene 1.46
    2-isopropoxyethanol 15.45
    2,2,2-trifluoroethanol 16.88
    methyl butyrate 16.25

    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