1-(5-Methyl-2-pyridinyl)ethanone

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  • Identifiers

    CAS number
    5308-63-4

    Molecular formula
    C8H9NO

    SMILES
    CC1=CN=C(C=C1)C(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Nutty 70.83%
    Roasted 56.19%
    Popcorn 47.52%
    Musty 41.78%
    Earthy 40.78%
    Green 40.6%
    Hazelnut 40.22%
    Sweet 39.04%
    Burnt 34.49%
    Almond 34.47%

     

    Flavor
    Nutty 57.51%
    Popcorn 45.61%
    Earthy 40.57%
    Musty 38.33%
    Tobacco 36.68%
    Corn 35.52%
    Roasted 35.13%
    Roast 34.45%
    Cocoa 33.53%
    Potato 32.75%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    5.53 (weak acid)

    Molecular weight
    135.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    225°C

    Flash point

    • 97.2 ˚C est.

  • Synonyms

    • 5308-63-4
    • 2-Acetyl-5-methylpyridine
    • 1-(5-methyl-2-pyridinyl)ethanone
    • CAP8W873WT
    • RefChem:1054519
    • 1-(5-METHYLPYRIDIN-2-YL)ETHANONE
    • 1-(5-methyl-pyridin-2-yl)-ethanone
    • 1-(5-METHYLPYRIDIN-2-YL)ETHAN-1-ONE
    • MFCD06658292
    • 1-(5-methyl-2-pyridyl)ethanone
    • ETHANONE, 1-(5-METHYL-2-PYRIDINYL)-
    • 1-(5-METHYL-PYRIDIN-2-YL)ETHANONE
    • 2-Acetyl-5-picoline
    • 2-acetyl-5-methyl-pyridine
    • SCHEMBL827893
    • SCHEMBL2643349
    • DTXSID90517258
    • CHEBI:179147
    • 1-(5-Methylpyridin-2-yl)-ethanone
    • AB1019
    • 1-(5-methyl-2-pyridyl)-1-ethanone
    • AKOS006295634
    • AB25779
    • Methyl 5-methyl-2-pyridyl ketone, 8CI
    • 1-(5-Methyl-2-pyridinyl)ethanone, 9CI
    • DS-16613
    • SY005233
    • CS-0005383
    • EN300-306647
    • 308M634
    • F311590
    • 5308-63-4

  • Applications

    1-(5-Methyl-2-pyridinyl)ethanone (CAS 5308-63-4) is primarily used as an organic synthesis intermediate, serving as a building block for pyridinyl compounds in pharmaceutical and agrochemical development. It is also employed as a fragrance intermediary or component in cosmetics, contributing to aroma profiles in formulations. In industrial manufacturing, it can act as a precursor to synthesize pyridinyl-acetyl compounds used in coatings and inks and other chemical applications. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 139.64
    methanol 175.47
    isopropanol 92.35
    water 7.53
    ethyl acetate 115.01
    n-propanol 99.46
    acetone 155.51
    n-butanol 95.91
    acetonitrile 185.6
    DMF 311.98
    toluene 57.51
    isobutanol 86.61
    1,4-dioxane 301.5
    methyl acetate 135.98
    THF 319.79
    2-butanone 126.66
    n-pentanol 75.26
    sec-butanol 85.36
    n-hexane 6.32
    ethylene glycol 46.38
    NMP 302.43
    cyclohexane 14.54
    DMSO 205.02
    n-butyl acetate 123.34
    n-octanol 57.2
    chloroform 377.1
    n-propyl acetate 81.86
    acetic acid 255.67
    dichloromethane 473.38
    cyclohexanone 225.11
    propylene glycol 50.03
    isopropyl acetate 60.67
    DMAc 243.9
    2-ethoxyethanol 110.31
    isopentanol 91.75
    n-heptane 11.7
    ethyl formate 150.85
    1,2-dichloroethane 177.45
    n-hexanol 93.78
    2-methoxyethanol 185.0
    isobutyl acetate 53.57
    tetrachloromethane 53.63
    n-pentyl acetate 64.2
    transcutol 417.5
    n-heptanol 53.61
    ethylbenzene 40.11
    MIBK 62.89
    2-propoxyethanol 145.95
    tert-butanol 126.27
    MTBE 76.6
    2-butoxyethanol 95.22
    propionic acid 126.88
    o-xylene 53.27
    formic acid 137.48
    diethyl ether 67.47
    m-xylene 48.01
    p-xylene 69.71
    chlorobenzene 111.54
    dimethyl carbonate 51.83
    n-octane 4.89
    formamide 182.16
    cyclopentanone 243.25
    2-pentanone 87.87
    anisole 102.5
    cyclopentyl methyl ether 107.88
    gamma-butyrolactone 319.67
    1-methoxy-2-propanol 112.86
    pyridine 212.07
    3-pentanone 70.66
    furfural 342.65
    n-dodecane 5.4
    diethylene glycol 119.83
    diisopropyl ether 21.24
    tert-amyl alcohol 105.08
    acetylacetone 113.73
    n-hexadecane 5.98
    acetophenone 103.57
    methyl propionate 90.67
    isopentyl acetate 101.77
    trichloroethylene 400.55
    n-nonanol 49.26
    cyclohexanol 92.95
    benzyl alcohol 89.99
    2-ethylhexanol 68.77
    isooctanol 44.33
    dipropyl ether 65.9
    1,2-dichlorobenzene 109.95
    ethyl lactate 49.89
    propylene carbonate 203.04
    n-methylformamide 164.05
    2-pentanol 55.38
    n-pentane 6.4
    1-propoxy-2-propanol 99.99
    1-methoxy-2-propyl acetate 100.39
    2-(2-methoxypropoxy) propanol 114.82
    mesitylene 30.51
    ε-caprolactone 191.3
    p-cymene 45.37
    epichlorohydrin 289.68
    1,1,1-trichloroethane 166.49
    2-aminoethanol 82.91
    morpholine-4-carbaldehyde 291.63
    sulfolane 277.21
    2,2,4-trimethylpentane 7.52
    2-methyltetrahydrofuran 211.95
    n-hexyl acetate 100.55
    isooctane 4.97
    2-(2-butoxyethoxy)ethanol 141.83
    sec-butyl acetate 51.74
    tert-butyl acetate 67.57
    decalin 10.29
    glycerin 75.0
    diglyme 248.03
    acrylic acid 127.35
    isopropyl myristate 42.72
    n-butyric acid 165.84
    acetyl acetate 94.48
    di(2-ethylhexyl) phthalate 55.97
    ethyl propionate 68.19
    nitromethane 325.87
    1,2-diethoxyethane 117.74
    benzonitrile 141.15
    trioctyl phosphate 38.95
    1-bromopropane 85.25
    gamma-valerolactone 310.99
    n-decanol 38.32
    triethyl phosphate 57.69
    4-methyl-2-pentanol 38.83
    propionitrile 124.25
    vinylene carbonate 213.4
    1,1,2-trichlorotrifluoroethane 201.34
    DMS 84.43
    cumene 36.37
    2-octanol 35.11
    2-hexanone 80.58
    octyl acetate 56.73
    limonene 58.95
    1,2-dimethoxyethane 208.2
    ethyl orthosilicate 53.41
    tributyl phosphate 51.61
    diacetone alcohol 89.19
    N,N-dimethylaniline 77.28
    acrylonitrile 162.98
    aniline 92.01
    1,3-propanediol 113.09
    bromobenzene 105.23
    dibromomethane 243.7
    1,1,2,2-tetrachloroethane 263.49
    2-methyl-cyclohexyl acetate 88.5
    tetrabutyl urea 64.67
    diisobutyl methanol 38.18
    2-phenylethanol 98.24
    styrene 48.36
    dioctyl adipate 74.13
    dimethyl sulfate 82.49
    ethyl butyrate 96.76
    methyl lactate 56.79
    butyl lactate 61.03
    diethyl carbonate 80.3
    propanediol butyl ether 91.63
    triethyl orthoformate 69.97
    p-tert-butyltoluene 39.44
    methyl 4-tert-butylbenzoate 101.33
    morpholine 273.4
    tert-butylamine 79.99
    n-dodecanol 31.12
    dimethoxymethane 132.55
    ethylene carbonate 163.52
    cyrene 115.53
    2-ethoxyethyl acetate 96.15
    2-ethylhexyl acetate 84.79
    1,2,4-trichlorobenzene 132.78
    4-methylpyridine 192.03
    dibutyl ether 62.64
    2,6-dimethyl-4-heptanol 38.18
    DEF 136.33
    dimethyl isosorbide 189.68
    tetrachloroethylene 167.42
    eugenol 98.1
    triacetin 106.72
    span 80 95.02
    1,4-butanediol 49.54
    1,1-dichloroethane 169.25
    2-methyl-1-pentanol 79.61
    methyl formate 151.03
    2-methyl-1-butanol 86.4
    n-decane 7.91
    butyronitrile 142.12
    3,7-dimethyl-1-octanol 56.82
    1-chlorooctane 34.75
    1-chlorotetradecane 15.99
    n-nonane 7.2
    undecane 6.38
    tert-butylcyclohexane 10.24
    cyclooctane 4.43
    cyclopentanol 112.65
    tetrahydropyran 184.75
    tert-amyl methyl ether 61.1
    2,5,8-trioxanonane 186.98
    1-hexene 29.29
    2-isopropoxyethanol 76.97
    2,2,2-trifluoroethanol 106.06
    methyl butyrate 106.56

    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