1-(Quinolin-2-yl)propan-2-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1531-30-2

    Molecular formula
    C12H11NO

    SMILES
    CC(=O)CC1=NC2=CC=CC=C2C=C1

  • Odor profile

    Fragrance
    Fruity 70.45%
    Floral 51.07%
    Burnt 40.29%
    Roasted 38.35%
    Berry 37.63%
    Nutty 33.12%
    Woody 32.79%
    Grape 31.83%
    Honey 31.19%
    Sweet 30.13%

     

    Flavor
    Sweet 42.72%
    Nutty 35.29%
    Floral 34.51%
    Fruity 32.5%
    Musty 29.25%
    Chocolate 29.0%
    Mild 26.97%
    Powdery 26.57%
    Bitter 26.53%
    Cocoa 26.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    6.38 (neutral)

    Molecular weight
    185.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    333°C

    Flash point

    • 153.09 ˚C est.

  • Synonyms

    • 1-(quinolin-2-yl)propan-2-one
    • 1531-30-2
    • 2-Propanone,1-(2-quinolinyl)-
    • 1-quinolin-2-ylpropan-2-one
    • MFCD00552685
    • DTXSID40281391
    • Acetonylchinolin
    • NSC21504
    • CHEMBL170968
    • SCHEMBL4623799
    • DTXCID40232545
    • NSC-21504
    • AKOS001591781
    • SB67498
    • DS-013586
    • CS-0161876
    • EU-0000359
    • D81627

  • Applications

    1-(Quinolin-2-yl)propan-2-one is mainly used as a versatile intermediate in medicinal chemistry and broader organic synthesis. It functions as a building block for the preparation of heteroaryl ketones and quinoline-containing scaffolds, supporting SAR exploration and the synthesis of downstream pharmaceutical candidates. In industrial and research settings, it is commonly evaluated as a precursor for more complex heterocyclic compounds and as a linkage unit in cross-coupling or acylation workflows. The compound may also serve in materials-oriented applications as a precursor to heteroaromatic materials for coatings, inks, or optoelectronic/photonic components, and may be explored in academic settings for the development of fluorescent probes or dyes. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 53.22
    methanol 69.37
    isopropanol 30.9
    water 0.57
    ethyl acetate 72.13
    n-propanol 45.22
    acetone 160.15
    n-butanol 40.64
    acetonitrile 97.42
    DMF 293.07
    toluene 30.85
    isobutanol 36.58
    1,4-dioxane 239.73
    methyl acetate 118.96
    THF 255.0
    2-butanone 119.36
    n-pentanol 42.57
    sec-butanol 33.29
    n-hexane 2.85
    ethylene glycol 39.33
    NMP 214.45
    cyclohexane 2.69
    DMSO 413.73
    n-butyl acetate 58.94
    n-octanol 18.28
    chloroform 196.23
    n-propyl acetate 60.01
    acetic acid 113.21
    dichloromethane 198.79
    cyclohexanone 141.25
    propylene glycol 35.31
    isopropyl acetate 38.45
    DMAc 327.92
    2-ethoxyethanol 110.26
    isopentanol 44.28
    n-heptane 2.29
    ethyl formate 53.55
    1,2-dichloroethane 142.68
    n-hexanol 40.34
    2-methoxyethanol 151.25
    isobutyl acetate 45.6
    tetrachloromethane 12.2
    n-pentyl acetate 33.84
    transcutol 661.82
    n-heptanol 17.55
    ethylbenzene 23.82
    MIBK 43.65
    2-propoxyethanol 104.92
    tert-butanol 44.84
    MTBE 38.31
    2-butoxyethanol 53.96
    propionic acid 76.76
    o-xylene 20.98
    formic acid 54.78
    diethyl ether 52.25
    m-xylene 21.4
    p-xylene 32.0
    chlorobenzene 57.97
    dimethyl carbonate 53.98
    n-octane 1.07
    formamide 83.01
    cyclopentanone 183.5
    2-pentanone 65.89
    anisole 79.55
    cyclopentyl methyl ether 81.06
    gamma-butyrolactone 213.66
    1-methoxy-2-propanol 91.4
    pyridine 151.73
    3-pentanone 68.53
    furfural 201.43
    n-dodecane 1.25
    diethylene glycol 116.77
    diisopropyl ether 12.66
    tert-amyl alcohol 39.8
    acetylacetone 102.29
    n-hexadecane 1.48
    acetophenone 74.31
    methyl propionate 79.39
    isopentyl acetate 56.96
    trichloroethylene 288.23
    n-nonanol 18.29
    cyclohexanol 41.16
    benzyl alcohol 67.65
    2-ethylhexanol 29.86
    isooctanol 17.48
    dipropyl ether 35.17
    1,2-dichlorobenzene 55.73
    ethyl lactate 41.73
    propylene carbonate 102.48
    n-methylformamide 97.34
    2-pentanol 22.66
    n-pentane 1.33
    1-propoxy-2-propanol 65.37
    1-methoxy-2-propyl acetate 73.13
    2-(2-methoxypropoxy) propanol 85.68
    mesitylene 12.43
    ε-caprolactone 122.59
    p-cymene 16.29
    epichlorohydrin 273.86
    1,1,1-trichloroethane 72.25
    2-aminoethanol 55.58
    morpholine-4-carbaldehyde 245.27
    sulfolane 230.19
    2,2,4-trimethylpentane 2.06
    2-methyltetrahydrofuran 134.65
    n-hexyl acetate 53.42
    isooctane 1.37
    2-(2-butoxyethoxy)ethanol 118.74
    sec-butyl acetate 41.23
    tert-butyl acetate 44.03
    decalin 4.37
    glycerin 69.99
    diglyme 230.76
    acrylic acid 87.84
    isopropyl myristate 20.46
    n-butyric acid 67.8
    acetyl acetate 54.94
    di(2-ethylhexyl) phthalate 30.39
    ethyl propionate 53.48
    nitromethane 232.18
    1,2-diethoxyethane 104.47
    benzonitrile 73.76
    trioctyl phosphate 18.12
    1-bromopropane 48.7
    gamma-valerolactone 245.35
    n-decanol 14.8
    triethyl phosphate 33.5
    4-methyl-2-pentanol 19.41
    propionitrile 61.82
    vinylene carbonate 104.31
    1,1,2-trichlorotrifluoroethane 156.68
    DMS 82.31
    cumene 19.52
    2-octanol 11.68
    2-hexanone 68.12
    octyl acetate 27.67
    limonene 21.01
    1,2-dimethoxyethane 196.67
    ethyl orthosilicate 30.88
    tributyl phosphate 27.21
    diacetone alcohol 66.12
    N,N-dimethylaniline 54.63
    acrylonitrile 89.52
    aniline 62.68
    1,3-propanediol 63.22
    bromobenzene 51.81
    dibromomethane 103.02
    1,1,2,2-tetrachloroethane 198.32
    2-methyl-cyclohexyl acetate 47.55
    tetrabutyl urea 37.25
    diisobutyl methanol 17.69
    2-phenylethanol 55.14
    styrene 30.73
    dioctyl adipate 39.52
    dimethyl sulfate 93.07
    ethyl butyrate 46.27
    methyl lactate 50.38
    butyl lactate 39.51
    diethyl carbonate 40.55
    propanediol butyl ether 64.57
    triethyl orthoformate 38.23
    p-tert-butyltoluene 14.3
    methyl 4-tert-butylbenzoate 55.13
    morpholine 220.19
    tert-butylamine 24.17
    n-dodecanol 11.93
    dimethoxymethane 132.31
    ethylene carbonate 81.5
    cyrene 83.05
    2-ethoxyethyl acetate 72.46
    2-ethylhexyl acetate 46.17
    1,2,4-trichlorobenzene 78.42
    4-methylpyridine 119.91
    dibutyl ether 34.91
    2,6-dimethyl-4-heptanol 17.69
    DEF 93.67
    dimethyl isosorbide 131.69
    tetrachloroethylene 113.45
    eugenol 63.79
    triacetin 75.81
    span 80 58.36
    1,4-butanediol 34.73
    1,1-dichloroethane 89.02
    2-methyl-1-pentanol 47.18
    methyl formate 83.13
    2-methyl-1-butanol 41.62
    n-decane 1.94
    butyronitrile 54.89
    3,7-dimethyl-1-octanol 24.85
    1-chlorooctane 12.94
    1-chlorotetradecane 5.63
    n-nonane 1.67
    undecane 1.52
    tert-butylcyclohexane 4.31
    cyclooctane 1.01
    cyclopentanol 48.35
    tetrahydropyran 127.17
    tert-amyl methyl ether 34.33
    2,5,8-trioxanonane 152.06
    1-hexene 18.19
    2-isopropoxyethanol 71.98
    2,2,2-trifluoroethanol 53.21
    methyl butyrate 69.64

    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