4-Acetyl-2-methylpyrimidine

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  • Identifiers

    CAS number
    67860-38-2

    Molecular formula
    C7H8N2O

    SMILES
    CC1=NC=CC(=N1)C(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 78.67%
    Roasted 72.93%
    Popcorn 63.0%
    Hazelnut 48.65%
    Burnt 46.6%
    Meaty 44.53%
    Musty 40.9%
    Coffee 40.17%
    Caramellic 39.31%
    Cocoa 35.1%

     

    Flavor
    Nutty 61.36%
    Popcorn 51.66%
    Roasted 45.94%
    Roast 43.17%
    Corn 39.8%
    Hazelnut 38.71%
    Burnt 37.02%
    Chip 36.56%
    Coffee 34.62%
    Chocolate 34.33%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    4.64 (weak acid)

    Molecular weight
    136.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 87.00 to 89.00 °C. @ 10.00 mm Hg

    Flash point

    • 107.36 ˚C est.

    Solubility expt.

    • slightly
    • Slightly soluble in water; Soluble in fats
    • Soluble (in ethanol)

  • Synonyms

    • 67860-38-2
    • 1-(2-methylpyrimidin-4-yl)ethanone
    • 4-Acetyl-2-methylpyrimidine
    • 1-(2-Methyl-4-pyrimidinyl)ethanone
    • 2-Methyl-4-acetylpyrimidine
    • 1-(2-METHYLPYRIMIDIN-4-YL)ETHAN-1-ONE
    • FEMA No. 3654
    • Ethanone, 1-(2-methyl-4-pyrimidinyl)-
    • 1-(2-Methyl-4-pyrimidinyl)-ethanone
    • ETHANONE,1-(2-METHYL-4-PYRIMIDINYL)-
    • UNII-1S259JU961
    • MFCD00209495
    • 1S259JU961
    • DTXSID10867368
    • 4-ACETYL-2-METHYLPYRIMIDINE [FHFI]
    • 4-acetyl-2-methyl pyrimidine
    • Ethanone,1-(2-methyl-4-pyrimidinyl)
    • SCHEMBL882664
    • CHEMBL4583043
    • FEMA 3654
    • DTXCID40815559
    • CHEBI:193639
    • ZADBZWAGUOHTAB-UHFFFAOYSA-N
    • BCP30746
    • AKOS006271619
    • AB04788
    • BS-17332
    • SY160392
    • 1-(2-Methyl-4-pyrimidinyl)ethanone, 9CI
    • CS-0163212
    • NS00127108
    • D70257
    • EN300-178845
    • M67449
    • Q27252819
    • Z1198152051
    • 4-Acetyl-2-methylpyrimidine pound>>1-(2-Methyl-4-pyrimidinyl)ethanone pound>>2-Methyl-4-acetylpyrimidine

  • Applications

    4-Acetyl-2-methylpyrimidine (CAS 67860-38-2) is primarily used as an intermediate and building block in organic synthesis, with particular relevance to pyrimidine-containing compounds in pharmaceutical and agrochemical development. It serves as a core scaffold for the synthesis of heterocyclic pyrimidine compounds aimed at drug discovery and crop-protection applications. Additionally, it is viewed as a precursor for more complex pyrimidine derivatives or for subsequent functionalization steps in the synthetic sequence. It can also be used as a starting material in polymer and materials chemistry to prepare functionalized pyrimidine-containing polymers or coatings for specialty applications. In general organic synthesis workflows, 4-Acetyl-2-methylpyrimidine is commonly regarded as a versatile heterocyclic building block for further transformations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 91.97
    methanol 173.96
    isopropanol 62.14
    water 13.0
    ethyl acetate 79.82
    n-propanol 70.17
    acetone 101.5
    n-butanol 60.27
    acetonitrile 75.4
    DMF 334.41
    toluene 35.05
    isobutanol 52.39
    1,4-dioxane 155.97
    methyl acetate 92.76
    THF 133.95
    2-butanone 91.23
    n-pentanol 42.05
    sec-butanol 55.45
    n-hexane 4.88
    ethylene glycol 65.91
    NMP 272.94
    cyclohexane 3.17
    DMSO 329.66
    n-butyl acetate 36.93
    n-octanol 23.89
    chloroform 146.86
    n-propyl acetate 30.28
    acetic acid 70.14
    dichloromethane 195.42
    cyclohexanone 104.95
    propylene glycol 47.83
    isopropyl acetate 37.77
    DMAc 373.76
    2-ethoxyethanol 100.9
    isopentanol 45.56
    n-heptane 3.65
    ethyl formate 85.84
    1,2-dichloroethane 113.29
    n-hexanol 36.5
    2-methoxyethanol 219.74
    isobutyl acetate 20.75
    tetrachloromethane 27.08
    n-pentyl acetate 30.54
    transcutol 128.66
    n-heptanol 20.67
    ethylbenzene 21.94
    MIBK 38.35
    2-propoxyethanol 96.22
    tert-butanol 61.4
    MTBE 50.77
    2-butoxyethanol 51.19
    propionic acid 61.99
    o-xylene 33.89
    formic acid 84.01
    diethyl ether 48.27
    m-xylene 29.18
    p-xylene 31.88
    chlorobenzene 58.14
    dimethyl carbonate 48.74
    n-octane 2.33
    formamide 97.59
    cyclopentanone 135.73
    2-pentanone 64.01
    anisole 60.33
    cyclopentyl methyl ether 62.39
    gamma-butyrolactone 170.99
    1-methoxy-2-propanol 121.91
    pyridine 96.25
    3-pentanone 56.81
    furfural 224.6
    n-dodecane 2.76
    diethylene glycol 108.08
    diisopropyl ether 13.74
    tert-amyl alcohol 57.85
    acetylacetone 87.53
    n-hexadecane 3.1
    acetophenone 57.14
    methyl propionate 81.38
    isopentyl acetate 35.4
    trichloroethylene 169.3
    n-nonanol 21.27
    cyclohexanol 42.91
    benzyl alcohol 54.91
    2-ethylhexanol 24.08
    isooctanol 18.36
    dipropyl ether 22.43
    1,2-dichlorobenzene 64.28
    ethyl lactate 34.11
    propylene carbonate 88.69
    n-methylformamide 154.49
    2-pentanol 33.37
    n-pentane 4.02
    1-propoxy-2-propanol 54.69
    1-methoxy-2-propyl acetate 52.23
    2-(2-methoxypropoxy) propanol 53.75
    mesitylene 17.71
    ε-caprolactone 99.73
    p-cymene 18.14
    epichlorohydrin 181.24
    1,1,1-trichloroethane 77.39
    2-aminoethanol 80.75
    morpholine-4-carbaldehyde 249.44
    sulfolane 222.03
    2,2,4-trimethylpentane 4.2
    2-methyltetrahydrofuran 96.86
    n-hexyl acetate 40.47
    isooctane 2.57
    2-(2-butoxyethoxy)ethanol 60.51
    sec-butyl acetate 22.35
    tert-butyl acetate 36.94
    decalin 5.66
    glycerin 95.09
    diglyme 118.89
    acrylic acid 63.68
    isopropyl myristate 17.08
    n-butyric acid 70.57
    acetyl acetate 45.47
    di(2-ethylhexyl) phthalate 26.66
    ethyl propionate 38.75
    nitromethane 168.49
    1,2-diethoxyethane 44.04
    benzonitrile 74.34
    trioctyl phosphate 17.36
    1-bromopropane 56.89
    gamma-valerolactone 201.71
    n-decanol 16.7
    triethyl phosphate 27.52
    4-methyl-2-pentanol 20.69
    propionitrile 64.14
    vinylene carbonate 94.99
    1,1,2-trichlorotrifluoroethane 141.94
    DMS 49.26
    cumene 18.91
    2-octanol 17.26
    2-hexanone 36.8
    octyl acetate 23.75
    limonene 21.86
    1,2-dimethoxyethane 151.14
    ethyl orthosilicate 25.55
    tributyl phosphate 20.79
    diacetone alcohol 54.75
    N,N-dimethylaniline 50.86
    acrylonitrile 91.41
    aniline 58.81
    1,3-propanediol 100.46
    bromobenzene 57.61
    dibromomethane 112.53
    1,1,2,2-tetrachloroethane 140.21
    2-methyl-cyclohexyl acetate 29.72
    tetrabutyl urea 31.46
    diisobutyl methanol 15.6
    2-phenylethanol 43.31
    styrene 25.48
    dioctyl adipate 26.84
    dimethyl sulfate 112.69
    ethyl butyrate 30.89
    methyl lactate 61.21
    butyl lactate 30.98
    diethyl carbonate 27.86
    propanediol butyl ether 48.33
    triethyl orthoformate 28.26
    p-tert-butyltoluene 17.85
    methyl 4-tert-butylbenzoate 49.38
    morpholine 139.13
    tert-butylamine 34.63
    n-dodecanol 13.04
    dimethoxymethane 149.73
    ethylene carbonate 74.99
    cyrene 62.68
    2-ethoxyethyl acetate 45.7
    2-ethylhexyl acetate 28.67
    1,2,4-trichlorobenzene 76.03
    4-methylpyridine 115.7
    dibutyl ether 22.64
    2,6-dimethyl-4-heptanol 15.6
    DEF 121.17
    dimethyl isosorbide 86.3
    tetrachloroethylene 89.06
    eugenol 56.35
    triacetin 41.02
    span 80 36.62
    1,4-butanediol 44.82
    1,1-dichloroethane 92.5
    2-methyl-1-pentanol 38.7
    methyl formate 125.33
    2-methyl-1-butanol 51.09
    n-decane 3.89
    butyronitrile 66.63
    3,7-dimethyl-1-octanol 23.95
    1-chlorooctane 15.4
    1-chlorotetradecane 7.85
    n-nonane 3.57
    undecane 3.23
    tert-butylcyclohexane 5.97
    cyclooctane 1.73
    cyclopentanol 56.09
    tetrahydropyran 65.99
    tert-amyl methyl ether 47.21
    2,5,8-trioxanonane 86.62
    1-hexene 16.62
    2-isopropoxyethanol 53.18
    2,2,2-trifluoroethanol 51.94
    methyl butyrate 52.51

    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