2-Acetyl-4-methylpyridine

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  • Identifiers

    CAS number
    59576-26-0

    Molecular formula
    C8H9NO

    SMILES
    CC1=CC(=NC=C1)C(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 67.64%
    Green 57.39%
    Roasted 53.7%
    Popcorn 42.38%
    Musty 41.99%
    Herbal 39.31%
    Earthy 38.13%
    Hazelnut 37.23%
    Burnt 35.1%
    Tobacco 33.83%

     

    Flavor
    Nutty 59.33%
    Popcorn 49.25%
    Roasted 40.06%
    Musty 38.81%
    Corn 38.71%
    Cocoa 38.09%
    Roast 37.6%
    Coffee 35.16%
    Burnt 34.27%
    Earthy 33.39%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    5.93 (weak acid)

    Molecular weight
    135.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    216°C

    Melting point expt.

    • 33 - 34 °C

    Flash point

    • 90.83 ˚C est.

  • Synonyms

    • 2-Acetyl-4-methylpyridine
    • 59576-26-0
    • 1-(4-METHYLPYRIDIN-2-YL)ETHAN-1-ONE
    • DTXSID20340450
    • RefChem:462833
    • DTXCID40291531
    • 627-737-6
    • 1-(4-methylpyridin-2-yl)ethanone
    • MFCD01863638
    • Ethanone, 1-(4-methyl-2-pyridinyl)-
    • 2-Acetyl-4-picoline
    • 1-(4-methyl-2-pyridyl)ethanone
    • 1-(4-Methyl-pyridin-2-yl)-ethanone
    • 1-(4-Methyl-2-pyridinyl)ethanone
    • 1-(4-Methyl-pyridin-2-yl)ethanone
    • SCHEMBL397492
    • 64ZM3S6M7P
    • orb3023400
    • SCHEMBL2643035
    • SCHEMBL4922151
    • SCHEMBL29971476
    • CHEBI:179150
    • 2-Acetyl-4-methylpyridine, 98%
    • 1-(4-methylpyridin-2-yl)-ethanone
    • AB1018
    • BBL101081
    • SBB055566
    • STL554875
    • 1-(4-methyl-2-pyridyl)-1-ethanone
    • 1-(4-Methyl-2-pyridinyl)ethanone #
    • AKOS005256840
    • AB10395
    • AC-5129
    • CS-W013352
    • Methyl 4-methyl-2-pyridyl ketone, 8CI
    • 1-(4-Methyl-2-pyridinyl)ethanone, 9CI
    • SY005272
    • TS-01740
    • DB-005051
    • A2338
    • NS00113862
    • EN300-204974
    • 576A260
    • F068379
    • A1-00324
    • doi:10.14272/HRVQMQWVGKYDCF-UHFFFAOYSA-N.1
    • InChI=1/C8H9NO/c1-6-3-4-9-8(5-6)7(2)10/h3-5H,1-2H
    • 59576-26-0

  • Applications

    2-Acetyl-4-methylpyridine (CAS 59576-26-0) is primarily used as a synthetic building block in the preparation of pyridine-containing compounds for pharmaceuticals, often as an intermediate in API synthesis; it is also commonly evaluated for use as an intermediate in the development of pyridine-based agrochemicals; in perfumery, it can serve as an aroma ingredient or fragrance intermediate, contributing specific notes in controlled formulations; in coatings, inks, and polymers, it serves as a building block for pyridine-containing monomers and related specialty materials, including dyes and pigments, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 251.96
    methanol 355.88
    isopropanol 220.34
    water 10.33
    ethyl acetate 210.32
    n-propanol 232.95
    acetone 324.21
    n-butanol 180.2
    acetonitrile 182.29
    DMF 619.42
    toluene 106.04
    isobutanol 177.77
    1,4-dioxane 403.54
    methyl acetate 248.6
    THF 381.67
    2-butanone 273.21
    n-pentanol 124.69
    sec-butanol 193.81
    n-hexane 18.85
    ethylene glycol 144.23
    NMP 383.3
    cyclohexane 15.19
    DMSO 418.97
    n-butyl acetate 104.99
    n-octanol 94.6
    chloroform 485.61
    n-propyl acetate 95.5
    acetic acid 149.39
    dichloromethane 455.32
    cyclohexanone 262.08
    propylene glycol 144.95
    isopropyl acetate 106.8
    DMAc 461.37
    2-ethoxyethanol 206.79
    isopentanol 146.19
    n-heptane 14.03
    ethyl formate 165.29
    1,2-dichloroethane 259.64
    n-hexanol 149.55
    2-methoxyethanol 396.47
    isobutyl acetate 69.03
    tetrachloromethane 70.76
    n-pentyl acetate 79.59
    transcutol 334.33
    n-heptanol 82.99
    ethylbenzene 74.42
    MIBK 119.3
    2-propoxyethanol 242.5
    tert-butanol 216.09
    MTBE 172.24
    2-butoxyethanol 139.06
    propionic acid 186.62
    o-xylene 88.69
    formic acid 94.17
    diethyl ether 163.53
    m-xylene 91.41
    p-xylene 95.71
    chlorobenzene 148.49
    dimethyl carbonate 93.69
    n-octane 9.67
    formamide 111.77
    cyclopentanone 346.91
    2-pentanone 194.69
    anisole 159.96
    cyclopentyl methyl ether 190.11
    gamma-butyrolactone 352.25
    1-methoxy-2-propanol 290.62
    pyridine 210.67
    3-pentanone 163.87
    furfural 335.3
    n-dodecane 10.13
    diethylene glycol 226.3
    diisopropyl ether 47.23
    tert-amyl alcohol 184.63
    acetylacetone 206.31
    n-hexadecane 11.26
    acetophenone 138.33
    methyl propionate 198.17
    isopentyl acetate 97.12
    trichloroethylene 445.82
    n-nonanol 77.31
    cyclohexanol 142.26
    benzyl alcohol 128.42
    2-ethylhexanol 84.95
    isooctanol 68.41
    dipropyl ether 75.13
    1,2-dichlorobenzene 143.8
    ethyl lactate 85.65
    propylene carbonate 193.1
    n-methylformamide 275.48
    2-pentanol 129.35
    n-pentane 16.26
    1-propoxy-2-propanol 152.83
    1-methoxy-2-propyl acetate 124.95
    2-(2-methoxypropoxy) propanol 121.73
    mesitylene 55.64
    ε-caprolactone 219.96
    p-cymene 45.56
    epichlorohydrin 374.66
    1,1,1-trichloroethane 236.99
    2-aminoethanol 190.51
    morpholine-4-carbaldehyde 383.56
    sulfolane 390.48
    2,2,4-trimethylpentane 14.79
    2-methyltetrahydrofuran 276.52
    n-hexyl acetate 126.85
    isooctane 11.79
    2-(2-butoxyethoxy)ethanol 157.18
    sec-butyl acetate 72.11
    tert-butyl acetate 108.58
    decalin 18.86
    glycerin 199.55
    diglyme 278.36
    acrylic acid 165.39
    isopropyl myristate 51.82
    n-butyric acid 188.76
    acetyl acetate 111.99
    di(2-ethylhexyl) phthalate 56.01
    ethyl propionate 103.01
    nitromethane 306.1
    1,2-diethoxyethane 115.43
    benzonitrile 148.95
    trioctyl phosphate 44.39
    1-bromopropane 168.06
    gamma-valerolactone 376.02
    n-decanol 60.98
    triethyl phosphate 53.11
    4-methyl-2-pentanol 79.2
    propionitrile 170.81
    vinylene carbonate 192.99
    1,1,2-trichlorotrifluoroethane 256.13
    DMS 113.99
    cumene 57.65
    2-octanol 65.04
    2-hexanone 119.75
    octyl acetate 69.37
    limonene 59.04
    1,2-dimethoxyethane 288.83
    ethyl orthosilicate 50.08
    tributyl phosphate 49.07
    diacetone alcohol 156.6
    N,N-dimethylaniline 115.74
    acrylonitrile 211.67
    aniline 136.77
    1,3-propanediol 223.45
    bromobenzene 147.37
    dibromomethane 286.52
    1,1,2,2-tetrachloroethane 349.54
    2-methyl-cyclohexyl acetate 75.85
    tetrabutyl urea 67.82
    diisobutyl methanol 52.75
    2-phenylethanol 120.52
    styrene 84.53
    dioctyl adipate 68.98
    dimethyl sulfate 178.73
    ethyl butyrate 80.06
    methyl lactate 135.38
    butyl lactate 74.68
    diethyl carbonate 61.39
    propanediol butyl ether 141.69
    triethyl orthoformate 58.62
    p-tert-butyltoluene 45.45
    methyl 4-tert-butylbenzoate 114.13
    morpholine 361.93
    tert-butylamine 125.73
    n-dodecanol 48.58
    dimethoxymethane 280.94
    ethylene carbonate 153.75
    cyrene 127.47
    2-ethoxyethyl acetate 105.85
    2-ethylhexyl acetate 75.85
    1,2,4-trichlorobenzene 171.41
    4-methylpyridine 234.25
    dibutyl ether 75.85
    2,6-dimethyl-4-heptanol 52.75
    DEF 238.34
    dimethyl isosorbide 175.89
    tetrachloroethylene 218.64
    eugenol 128.72
    triacetin 105.29
    span 80 103.1
    1,4-butanediol 110.01
    1,1-dichloroethane 283.2
    2-methyl-1-pentanol 116.73
    methyl formate 238.21
    2-methyl-1-butanol 154.6
    n-decane 15.32
    butyronitrile 159.55
    3,7-dimethyl-1-octanol 80.1
    1-chlorooctane 61.51
    1-chlorotetradecane 26.8
    n-nonane 15.07
    undecane 12.08
    tert-butylcyclohexane 22.38
    cyclooctane 7.55
    cyclopentanol 180.51
    tetrahydropyran 246.29
    tert-amyl methyl ether 135.43
    2,5,8-trioxanonane 183.17
    1-hexene 72.02
    2-isopropoxyethanol 143.13
    2,2,2-trifluoroethanol 95.34
    methyl butyrate 140.54

    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