5-Acetyl-2,4-dimethylpyrimidine

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  • Identifiers

    CAS number
    55933-85-2

    Molecular formula
    C8H10N2O

    SMILES
    CC1=NC(=NC=C1C(=O)C)C

  • Odor profile

    Fragrance
    Nutty 66.17%
    Roasted 61.94%
    Popcorn 45.26%
    Burnt 44.65%
    Musty 42.49%
    Hazelnut 40.55%
    Earthy 37.87%
    Sweet 37.55%
    Meaty 35.54%
    Cocoa 34.96%

     

    Flavor
    Nutty 51.18%
    Roasted 41.26%
    Burnt 38.13%
    Musty 37.21%
    Cocoa 36.3%
    Popcorn 34.15%
    Earthy 32.08%
    Hazelnut 30.97%
    Coffee 29.41%
    Corn 28.92%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    4.99 (weak acid)

    Molecular weight
    150.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point

    • 119.18 ˚C est.

  • Synonyms

    • 55933-85-2
    • 5-Acetyl-2,4-dimethylpyrimidine
    • 1-(2,4-Dimethylpyrimidin-5-yl)ethan-1-one
    • 1-(2,4-dimethylpyrimidin-5-yl)ethanone
    • Ethanone, 1-(2,4-dimethyl-5-pyrimidinyl)-
    • 4VT5E2DS4M
    • EINECS 259-909-8
    • NSC-122019
    • DTXSID8069068
    • NSC 122019
    • NSC122019
    • UNII-4VT5E2DS4M
    • DTXCID4041997
    • SCHEMBL11721563
    • ULFYOIKCNJOCFW-UHFFFAOYSA-N
    • FCA93385
    • Ethanone,4-dimethyl-5-pyrimidinyl)-
    • AKOS012064405
    • NS-01152
    • DB-072070
    • CS-0263237
    • NS00053662
    • EN300-85708
    • G10058
    • Z1013768348
    • 259-909-8

  • Applications

    5-Acetyl-2,4-dimethylpyrimidine (CAS 55933-85-2) is primarily viewed as an intermediate in pharmaceutical synthesis, enabling the preparation of complex pyrimidine-containing compounds. In agrochemical R&D, it is used as a core scaffold for pyrimidine derivatives aimed at developing new herbicides and fungicides. Additionally, it serves as an important building block in organic synthesis, enabling the preparation of diverse pyrimidine-containing and other heterocyclic structures. In polymers and materials science, it can function as a precursor or functionalizing agent to introduce pyrimidine units into specialized polymers, helping tailor material properties and performance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 63.24
    methanol 100.54
    isopropanol 40.26
    water 18.15
    ethyl acetate 96.85
    n-propanol 48.92
    acetone 86.43
    n-butanol 44.34
    acetonitrile 138.89
    DMF 170.64
    toluene 46.22
    isobutanol 39.67
    1,4-dioxane 212.1
    methyl acetate 97.03
    THF 247.45
    2-butanone 59.65
    n-pentanol 29.54
    sec-butanol 38.16
    n-hexane 7.35
    ethylene glycol 36.78
    NMP 288.57
    cyclohexane 20.2
    DMSO 114.56
    n-butyl acetate 45.08
    n-octanol 25.81
    chloroform 215.6
    n-propyl acetate 42.22
    acetic acid 147.39
    dichloromethane 254.17
    cyclohexanone 143.89
    propylene glycol 29.92
    isopropyl acetate 44.01
    DMAc 178.66
    2-ethoxyethanol 52.05
    isopentanol 34.93
    n-heptane 6.76
    ethyl formate 95.25
    1,2-dichloroethane 104.64
    n-hexanol 38.17
    2-methoxyethanol 127.75
    isobutyl acetate 25.21
    tetrachloromethane 39.42
    n-pentyl acetate 34.61
    transcutol 148.05
    n-heptanol 20.05
    ethylbenzene 22.25
    MIBK 29.53
    2-propoxyethanol 84.0
    tert-butanol 50.88
    MTBE 35.36
    2-butoxyethanol 39.31
    propionic acid 84.95
    o-xylene 37.69
    formic acid 111.0
    diethyl ether 48.57
    m-xylene 32.86
    p-xylene 36.79
    chlorobenzene 75.8
    dimethyl carbonate 51.22
    n-octane 3.19
    formamide 143.32
    cyclopentanone 163.34
    2-pentanone 47.66
    anisole 55.37
    cyclopentyl methyl ether 95.4
    gamma-butyrolactone 269.54
    1-methoxy-2-propanol 70.4
    pyridine 128.64
    3-pentanone 49.36
    furfural 251.74
    n-dodecane 3.32
    diethylene glycol 74.52
    diisopropyl ether 13.8
    tert-amyl alcohol 44.24
    acetylacetone 77.59
    n-hexadecane 3.77
    acetophenone 57.75
    methyl propionate 82.86
    isopentyl acetate 38.81
    trichloroethylene 211.34
    n-nonanol 24.01
    cyclohexanol 66.76
    benzyl alcohol 48.38
    2-ethylhexanol 28.98
    isooctanol 17.56
    dipropyl ether 30.27
    1,2-dichlorobenzene 81.13
    ethyl lactate 31.48
    propylene carbonate 146.28
    n-methylformamide 129.72
    2-pentanol 24.04
    n-pentane 6.45
    1-propoxy-2-propanol 48.56
    1-methoxy-2-propyl acetate 58.37
    2-(2-methoxypropoxy) propanol 55.54
    mesitylene 19.78
    ε-caprolactone 140.24
    p-cymene 20.89
    epichlorohydrin 213.17
    1,1,1-trichloroethane 107.33
    2-aminoethanol 51.68
    morpholine-4-carbaldehyde 232.69
    sulfolane 220.38
    2,2,4-trimethylpentane 4.79
    2-methyltetrahydrofuran 168.0
    n-hexyl acetate 52.66
    isooctane 2.37
    2-(2-butoxyethoxy)ethanol 66.05
    sec-butyl acetate 27.17
    tert-butyl acetate 41.08
    decalin 9.58
    glycerin 54.96
    diglyme 111.31
    acrylic acid 95.28
    isopropyl myristate 23.58
    n-butyric acid 90.98
    acetyl acetate 82.06
    di(2-ethylhexyl) phthalate 32.24
    ethyl propionate 50.74
    nitromethane 251.69
    1,2-diethoxyethane 46.86
    benzonitrile 82.79
    trioctyl phosphate 21.14
    1-bromopropane 50.7
    gamma-valerolactone 235.0
    n-decanol 18.65
    triethyl phosphate 34.82
    4-methyl-2-pentanol 15.3
    propionitrile 77.87
    vinylene carbonate 160.42
    1,1,2-trichlorotrifluoroethane 136.48
    DMS 69.66
    cumene 19.37
    2-octanol 15.87
    2-hexanone 34.36
    octyl acetate 31.4
    limonene 28.38
    1,2-dimethoxyethane 110.86
    ethyl orthosilicate 32.1
    tributyl phosphate 27.67
    diacetone alcohol 47.21
    N,N-dimethylaniline 44.28
    acrylonitrile 107.71
    aniline 65.06
    1,3-propanediol 61.23
    bromobenzene 71.85
    dibromomethane 127.45
    1,1,2,2-tetrachloroethane 147.16
    2-methyl-cyclohexyl acetate 45.34
    tetrabutyl urea 37.36
    diisobutyl methanol 15.86
    2-phenylethanol 51.15
    styrene 26.86
    dioctyl adipate 38.58
    dimethyl sulfate 80.68
    ethyl butyrate 43.2
    methyl lactate 48.33
    butyl lactate 30.13
    diethyl carbonate 42.1
    propanediol butyl ether 37.41
    triethyl orthoformate 36.84
    p-tert-butyltoluene 18.88
    methyl 4-tert-butylbenzoate 57.36
    morpholine 188.88
    tert-butylamine 31.63
    n-dodecanol 14.89
    dimethoxymethane 104.0
    ethylene carbonate 131.29
    cyrene 76.34
    2-ethoxyethyl acetate 51.86
    2-ethylhexyl acetate 34.69
    1,2,4-trichlorobenzene 98.4
    4-methylpyridine 126.27
    dibutyl ether 27.54
    2,6-dimethyl-4-heptanol 15.86
    DEF 87.05
    dimethyl isosorbide 115.2
    tetrachloroethylene 100.96
    eugenol 52.55
    triacetin 62.71
    span 80 48.08
    1,4-butanediol 24.67
    1,1-dichloroethane 93.98
    2-methyl-1-pentanol 30.54
    methyl formate 122.02
    2-methyl-1-butanol 37.98
    n-decane 4.89
    butyronitrile 71.25
    3,7-dimethyl-1-octanol 25.14
    1-chlorooctane 18.86
    1-chlorotetradecane 9.36
    n-nonane 4.66
    undecane 3.91
    tert-butylcyclohexane 7.52
    cyclooctane 5.89
    cyclopentanol 87.14
    tetrahydropyran 126.57
    tert-amyl methyl ether 35.02
    2,5,8-trioxanonane 95.51
    1-hexene 18.45
    2-isopropoxyethanol 34.86
    2,2,2-trifluoroethanol 88.41
    methyl butyrate 60.93

    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