3-methylquinolin-2(1H)-one

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  • Identifiers

    CAS number
    2721-59-7

    Molecular formula
    C10H9NO

    SMILES
    CC1=CC2=CC=CC=C2NC1=O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 40.56%
    Bitter 37.91%
    Phenolic 37.32%
    Burnt 35.63%
    Animal 35.05%
    Floral 33.37%
    Fruity 32.92%
    Powdery 30.07%
    Musty 29.61%
    Neroli 27.59%

     

    Flavor
    Bitter 82.64%
    Very strong 23.64%
    Indole 23.15%
    Nitrile 21.58%
    Moth ball 21.55%
    Naphthelene 21.52%
    Almond shell 21.22%
    Medical 21.16%
    Curry 20.92%
    Lovage 20.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    6.8 (neutral)

    Molecular weight
    159.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    314°C

    Flash point

    • 165.28 ˚C est.

  • Synonyms

    • CHEBI:20114
    • RefChem:1068331
    • 3-methylquinolin-2(1H)-one
    • 2721-59-7
    • 3-methyl-1,2-dihydroquinolin-2-one
    • 3-METHYLQUINOLIN-2-ONE
    • 3-methyl-1H-quinolin-2-one
    • 3-Methylcarbostyril
    • 2(1H)-Quinolinone, 3-methyl-
    • 2-Hydroxy-3-methylquinoline
    • 3-methyl-2-quinolone
    • 3-methylquinolin-2-ol
    • 3-Methyl-2-oxo-1,2-dihydroquinoline
    • 3-Methyl-2-quinolinone
    • 3-Methyl-quinolin-2-ol
    • MFCD08705733
    • 3-Methylhydroquinolin-2-one
    • CHEMBL3586688
    • Carbostyril, 3-methyl-
    • methylquinolone
    • 3-Methyl-2(1H)-quinolinone
    • methylhydroxyquinoline
    • SCHEMBL248620
    • SCHEMBL906750
    • CHEBI:1588
    • orb1302243
    • SCHEMBL3338582
    • SCHEMBL4460778
    • SCHEMBL7372883
    • SCHEMBL9900685
    • SCHEMBL16618917
    • SCHEMBL29979393
    • 3-Methyl-2(1H)-quinolinone #
    • DTXSID90949939
    • CAA72159
    • BDBM50096297
    • EBC-14089
    • STL572712
    • ZB0690
    • AKOS006289779
    • AKOS017405187
    • SB68177
    • AS-37316
    • PD120541
    • DB-081650
    • C06345
    • EN300-173928
    • Q27461644
    • Z1198181962
    • 3-​Methylquinolin-​2(1H)​-​one
    • J5I
    • 2721-59-7

  • Applications

    3-methylquinolin-2(1H)-one (CAS 2721-59-7) is predominantly used as an intermediate in pharmaceutical synthesis to assemble quinolinone-based frameworks; it also serves as a building block in agrochemical research and development; in medicinal chemistry it provides a heterocyclic scaffold for the discovery and optimization of lead-like compounds; in organic synthesis it is used as a ligand or precursor for catalytic transformations; and in materials science it is explored as a precursor for functional dyes and other functional materials in electronics and polymer research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 37.52
    methanol 31.77
    isopropanol 34.18
    water 0.8
    ethyl acetate 39.1
    n-propanol 33.38
    acetone 70.95
    n-butanol 30.65
    acetonitrile 36.25
    DMF 182.13
    toluene 11.18
    isobutanol 29.12
    1,4-dioxane 67.95
    methyl acetate 42.72
    THF 84.97
    2-butanone 69.35
    n-pentanol 33.96
    sec-butanol 30.22
    n-hexane 1.36
    ethylene glycol 8.35
    NMP 61.61
    cyclohexane 0.67
    DMSO 95.13
    n-butyl acetate 51.48
    n-octanol 24.88
    chloroform 45.08
    n-propyl acetate 44.95
    acetic acid 36.46
    dichloromethane 75.29
    cyclohexanone 60.6
    propylene glycol 7.93
    isopropyl acetate 26.44
    DMAc 128.62
    2-ethoxyethanol 55.43
    isopentanol 34.16
    n-heptane 2.79
    ethyl formate 43.19
    1,2-dichloroethane 51.53
    n-hexanol 39.65
    2-methoxyethanol 63.55
    isobutyl acetate 28.49
    tetrachloromethane 5.82
    n-pentyl acetate 38.92
    transcutol 109.99
    n-heptanol 30.6
    ethylbenzene 14.45
    MIBK 33.93
    2-propoxyethanol 65.41
    tert-butanol 41.64
    MTBE 25.55
    2-butoxyethanol 56.6
    propionic acid 27.86
    o-xylene 13.26
    formic acid 14.49
    diethyl ether 25.16
    m-xylene 13.99
    p-xylene 22.59
    chlorobenzene 17.34
    dimethyl carbonate 17.44
    n-octane 1.98
    formamide 40.78
    cyclopentanone 79.14
    2-pentanone 50.65
    anisole 30.61
    cyclopentyl methyl ether 29.0
    gamma-butyrolactone 80.14
    1-methoxy-2-propanol 47.54
    pyridine 55.97
    3-pentanone 34.08
    furfural 74.86
    n-dodecane 1.89
    diethylene glycol 41.02
    diisopropyl ether 8.29
    tert-amyl alcohol 33.57
    acetylacetone 47.1
    n-hexadecane 2.15
    acetophenone 40.44
    methyl propionate 32.99
    isopentyl acetate 44.14
    trichloroethylene 83.38
    n-nonanol 24.32
    cyclohexanol 18.12
    benzyl alcohol 30.66
    2-ethylhexanol 26.19
    isooctanol 26.46
    dipropyl ether 25.49
    1,2-dichlorobenzene 20.4
    ethyl lactate 21.36
    propylene carbonate 41.42
    n-methylformamide 63.48
    2-pentanol 21.41
    n-pentane 1.11
    1-propoxy-2-propanol 45.27
    1-methoxy-2-propyl acetate 39.19
    2-(2-methoxypropoxy) propanol 45.34
    mesitylene 8.65
    ε-caprolactone 50.5
    p-cymene 14.59
    epichlorohydrin 98.54
    1,1,1-trichloroethane 25.31
    2-aminoethanol 17.4
    morpholine-4-carbaldehyde 84.61
    sulfolane 68.74
    2,2,4-trimethylpentane 1.36
    2-methyltetrahydrofuran 47.3
    n-hexyl acetate 42.13
    isooctane 1.22
    2-(2-butoxyethoxy)ethanol 59.33
    sec-butyl acetate 26.24
    tert-butyl acetate 26.25
    decalin 1.79
    glycerin 13.68
    diglyme 112.81
    acrylic acid 23.45
    isopropyl myristate 18.86
    n-butyric acid 36.79
    acetyl acetate 21.31
    di(2-ethylhexyl) phthalate 21.53
    ethyl propionate 30.98
    nitromethane 70.78
    1,2-diethoxyethane 56.65
    benzonitrile 36.55
    trioctyl phosphate 16.67
    1-bromopropane 23.45
    gamma-valerolactone 95.33
    n-decanol 19.69
    triethyl phosphate 17.89
    4-methyl-2-pentanol 17.94
    propionitrile 34.53
    vinylene carbonate 43.13
    1,1,2-trichlorotrifluoroethane 42.34
    DMS 26.04
    cumene 13.52
    2-octanol 22.24
    2-hexanone 50.54
    octyl acetate 26.4
    limonene 15.07
    1,2-dimethoxyethane 111.76
    ethyl orthosilicate 17.54
    tributyl phosphate 19.17
    diacetone alcohol 41.86
    N,N-dimethylaniline 29.77
    acrylonitrile 43.68
    aniline 18.92
    1,3-propanediol 30.93
    bromobenzene 14.28
    dibromomethane 37.2
    1,1,2,2-tetrachloroethane 53.8
    2-methyl-cyclohexyl acetate 28.7
    tetrabutyl urea 29.83
    diisobutyl methanol 16.56
    2-phenylethanol 34.83
    styrene 12.81
    dioctyl adipate 25.82
    dimethyl sulfate 26.33
    ethyl butyrate 37.47
    methyl lactate 16.64
    butyl lactate 29.56
    diethyl carbonate 24.75
    propanediol butyl ether 36.73
    triethyl orthoformate 23.75
    p-tert-butyltoluene 11.92
    methyl 4-tert-butylbenzoate 40.34
    morpholine 65.5
    tert-butylamine 22.15
    n-dodecanol 15.52
    dimethoxymethane 73.42
    ethylene carbonate 33.86
    cyrene 43.3
    2-ethoxyethyl acetate 49.91
    2-ethylhexyl acetate 34.17
    1,2,4-trichlorobenzene 23.38
    4-methylpyridine 53.73
    dibutyl ether 26.59
    2,6-dimethyl-4-heptanol 16.56
    DEF 58.68
    dimethyl isosorbide 64.72
    tetrachloroethylene 36.83
    eugenol 46.64
    triacetin 35.57
    span 80 33.66
    1,4-butanediol 18.3
    1,1-dichloroethane 37.56
    2-methyl-1-pentanol 36.46
    methyl formate 47.31
    2-methyl-1-butanol 28.87
    n-decane 2.9
    butyronitrile 36.57
    3,7-dimethyl-1-octanol 22.48
    1-chlorooctane 13.42
    1-chlorotetradecane 5.82
    n-nonane 2.47
    undecane 2.32
    tert-butylcyclohexane 2.39
    cyclooctane 0.43
    cyclopentanol 23.22
    tetrahydropyran 38.36
    tert-amyl methyl ether 21.37
    2,5,8-trioxanonane 74.37
    1-hexene 10.05
    2-isopropoxyethanol 45.27
    2,2,2-trifluoroethanol 19.18
    methyl butyrate 51.29

    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
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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