3-Acetyl-6-methylpyridine

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  • Identifiers

    CAS number
    36357-38-7

    Molecular formula
    C8H9NO

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 73.64%
    Roasted 59.69%
    Sweet 55.99%
    Musty 46.0%
    Herbal 45.33%
    Burnt 44.06%
    Tobacco 43.5%
    Popcorn 42.55%
    Almond 39.98%
    Hazelnut 38.98%

     

    Flavor
    Sweet 78.29%
    Nutty 50.72%
    Woody 49.28%
    Hawthorn 45.71%
    Almond 40.72%
    Tobacco 40.04%
    Caramel 38.8%
    Musty 36.08%
    Cocoa 35.96%
    Powdery 34.52%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    5.63 (weak acid)

    Molecular weight
    135.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    240°C

    Flash point

    • 98.0 ˚C est.

  • Synonyms

    • 5-Acetyl-2-methylpyridine
    • 36357-38-7
    • 3-Acetyl-6-Methylpyridine
    • 1-(6-methylpyridin-3-yl)ethanone
    • 2-Methyl-5-acetylpyridine
    • Ethanone, 1-(6-methyl-3-pyridinyl)-
    • 1-(6-Methylpyridin-3-yl)ethan-1-one
    • 5-Acetyl-2-picoline
    • 1-(6-Methyl-3-pyridyl)-1-ethanone
    • 1-(6-Methyl-pyridin-3-yl)-ethanone
    • 0H4J36GB7B
    • 1-(6-Methyl-3-pyridinyl)ethanone
    • EINECS 252-995-8
    • MFCD00128113
    • NSC 27972
    • NSC-27972
    • DTXSID5067970
    • KETONE, METHYL 6-METHYL-3-PYRIDYL
    • 1-(6-methyl-3-pyridyl)ethanone
    • UNII-0H4J36GB7B
    • NSC27972
    • 5-acetyl-2-methyl pyridine
    • 2-Methyl-5-acetyl-pyridine
    • Pyridine, 5-acetyl-2-methyl
    • SCHEMBL575041
    • DTXCID8039162
    • 1-(6-methylpyrid-3-yl)ethanone
    • BCP26797
    • CS-B0461
    • 1-(6-methylpyridin-3-yl) ethanone
    • 1-(6-methylpyridin-3-yl)-ethanone
    • 1-(6-Methyl-3-pyridinyl)ethanone #
    • AKOS009423404
    • AB03568
    • AC-5980
    • FA09705
    • SB36841
    • SY063969
    • TS-01742
    • DB-009932
    • NS00030025
    • EN300-49471
    • Q27236777
    • 5-Acetyl-2-picoline;1-(6-Methyl-3-pyridinyl)-ethanone
    • 3-Acetyl-6-methylpyridine; 1-(6-methylpyridin-3-yl)ethanone; 2-Methyl-5-acetylpyridine

  • Applications

    3-Acetyl-6-methylpyridine (CAS 36357-38-7) is a substituted pyridine compound commonly regarded as an intermediate and building block for a range of organic syntheses. In industry, it is often used as a building-block precursor for pyridine-containing derivatives in pharmaceutical research and the development of heterocyclic compounds; it also serves as an intermediate for fragrance ingredients used in perfumery and cosmetics. It can function as a precursor in polymer chemistry and nitrogen-containing plastics, and is evaluated as a ligand or catalyst precursor in large-scale manufacturing reactions. Additionally, applications in coatings/inks and other specialty chemical formulations may be considered, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 133.69
    methanol 182.3
    isopropanol 96.0
    water 19.7
    ethyl acetate 104.48
    n-propanol 90.26
    acetone 129.51
    n-butanol 76.88
    acetonitrile 230.57
    DMF 325.95
    toluene 45.35
    isobutanol 76.11
    1,4-dioxane 322.9
    methyl acetate 137.01
    THF 263.1
    2-butanone 99.37
    n-pentanol 51.97
    sec-butanol 73.76
    n-hexane 3.84
    ethylene glycol 62.55
    NMP 315.32
    cyclohexane 12.97
    DMSO 221.2
    n-butyl acetate 52.83
    n-octanol 37.59
    chloroform 344.81
    n-propyl acetate 48.66
    acetic acid 217.85
    dichloromethane 352.3
    cyclohexanone 187.21
    propylene glycol 69.56
    isopropyl acetate 50.24
    DMAc 308.08
    2-ethoxyethanol 81.08
    isopentanol 66.42
    n-heptane 6.0
    ethyl formate 112.67
    1,2-dichloroethane 124.25
    n-hexanol 56.52
    2-methoxyethanol 192.24
    isobutyl acetate 31.57
    tetrachloromethane 50.19
    n-pentyl acetate 37.93
    transcutol 297.52
    n-heptanol 32.82
    ethylbenzene 26.25
    MIBK 40.73
    2-propoxyethanol 100.76
    tert-butanol 119.25
    MTBE 55.43
    2-butoxyethanol 65.82
    propionic acid 139.0
    o-xylene 46.4
    formic acid 132.89
    diethyl ether 49.08
    m-xylene 35.43
    p-xylene 50.74
    chlorobenzene 87.34
    dimethyl carbonate 58.56
    n-octane 2.92
    formamide 216.45
    cyclopentanone 213.57
    2-pentanone 63.3
    anisole 81.78
    cyclopentyl methyl ether 89.81
    gamma-butyrolactone 291.3
    1-methoxy-2-propanol 116.07
    pyridine 202.33
    3-pentanone 57.86
    furfural 284.85
    n-dodecane 3.44
    diethylene glycol 101.39
    diisopropyl ether 14.85
    tert-amyl alcohol 87.24
    acetylacetone 95.99
    n-hexadecane 3.84
    acetophenone 81.69
    methyl propionate 94.41
    isopentyl acetate 49.5
    trichloroethylene 296.7
    n-nonanol 34.54
    cyclohexanol 92.78
    benzyl alcohol 71.92
    2-ethylhexanol 39.53
    isooctanol 27.18
    dipropyl ether 35.14
    1,2-dichlorobenzene 91.59
    ethyl lactate 40.77
    propylene carbonate 159.42
    n-methylformamide 193.77
    2-pentanol 42.01
    n-pentane 4.1
    1-propoxy-2-propanol 65.99
    1-methoxy-2-propyl acetate 69.19
    2-(2-methoxypropoxy) propanol 86.46
    mesitylene 21.11
    ε-caprolactone 158.55
    p-cymene 25.61
    epichlorohydrin 249.88
    1,1,1-trichloroethane 141.96
    2-aminoethanol 107.45
    morpholine-4-carbaldehyde 308.92
    sulfolane 242.13
    2,2,4-trimethylpentane 4.7
    2-methyltetrahydrofuran 171.44
    n-hexyl acetate 62.47
    isooctane 2.61
    2-(2-butoxyethoxy)ethanol 107.18
    sec-butyl acetate 32.46
    tert-butyl acetate 50.86
    decalin 7.73
    glycerin 103.46
    diglyme 192.15
    acrylic acid 138.13
    isopropyl myristate 27.38
    n-butyric acid 134.12
    acetyl acetate 86.82
    di(2-ethylhexyl) phthalate 40.47
    ethyl propionate 51.27
    nitromethane 335.69
    1,2-diethoxyethane 71.26
    benzonitrile 112.88
    trioctyl phosphate 25.68
    1-bromopropane 56.85
    gamma-valerolactone 292.42
    n-decanol 27.25
    triethyl phosphate 40.6
    4-methyl-2-pentanol 27.59
    propionitrile 125.65
    vinylene carbonate 179.32
    1,1,2-trichlorotrifluoroethane 189.28
    DMS 73.16
    cumene 24.0
    2-octanol 23.29
    2-hexanone 47.2
    octyl acetate 38.83
    limonene 34.32
    1,2-dimethoxyethane 160.85
    ethyl orthosilicate 37.12
    tributyl phosphate 33.23
    diacetone alcohol 75.33
    N,N-dimethylaniline 62.11
    acrylonitrile 175.06
    aniline 95.92
    1,3-propanediol 109.7
    bromobenzene 78.35
    dibromomethane 164.06
    1,1,2,2-tetrachloroethane 214.26
    2-methyl-cyclohexyl acetate 55.41
    tetrabutyl urea 44.6
    diisobutyl methanol 23.13
    2-phenylethanol 70.74
    styrene 33.02
    dioctyl adipate 49.84
    dimethyl sulfate 96.95
    ethyl butyrate 52.95
    methyl lactate 66.79
    butyl lactate 39.82
    diethyl carbonate 50.75
    propanediol butyl ether 67.95
    triethyl orthoformate 44.16
    p-tert-butyltoluene 22.38
    methyl 4-tert-butylbenzoate 72.97
    morpholine 299.55
    tert-butylamine 68.34
    n-dodecanol 21.97
    dimethoxymethane 125.86
    ethylene carbonate 144.95
    cyrene 96.53
    2-ethoxyethyl acetate 61.8
    2-ethylhexyl acetate 41.06
    1,2,4-trichlorobenzene 115.49
    4-methylpyridine 174.87
    dibutyl ether 36.51
    2,6-dimethyl-4-heptanol 23.13
    DEF 113.16
    dimethyl isosorbide 145.25
    tetrachloroethylene 139.3
    eugenol 76.61
    triacetin 80.82
    span 80 73.62
    1,4-butanediol 43.43
    1,1-dichloroethane 135.73
    2-methyl-1-pentanol 50.62
    methyl formate 153.05
    2-methyl-1-butanol 66.06
    n-decane 4.92
    butyronitrile 108.28
    3,7-dimethyl-1-octanol 36.52
    1-chlorooctane 19.57
    1-chlorotetradecane 9.97
    n-nonane 4.35
    undecane 4.03
    tert-butylcyclohexane 7.24
    cyclooctane 3.15
    cyclopentanol 118.95
    tetrahydropyran 157.74
    tert-amyl methyl ether 43.03
    2,5,8-trioxanonane 162.03
    1-hexene 16.29
    2-isopropoxyethanol 54.36
    2,2,2-trifluoroethanol 112.76
    methyl butyrate 71.19

    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