2,6-Diacetylpyridine

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  • Identifiers

    CAS number
    1129-30-2

    Molecular formula
    C9H9NO2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 70.44%
    Popcorn 55.08%
    Roasted 53.46%
    Caramellic 45.01%
    Musty 39.61%
    Burnt 39.45%
    Sweet 39.0%
    Hazelnut 36.76%
    Earthy 32.51%
    Almond 30.26%

     

    Flavor
    Nutty 68.0%
    Popcorn 57.34%
    Corn 46.95%
    Roast 44.7%
    Chip 41.58%
    Roasted 39.4%
    Musty 38.18%
    Hazelnut 37.56%
    Nut 35.88%
    Burnt 35.47%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    5.52 (weak acid)

    Molecular weight
    163.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    268°C

    Flash point

    • 127.19 ˚C est.

  • Synonyms

    • 2,6-Diacetylpyridine
    • 1129-30-2
    • Pyridine-2,6-diacetyl
    • Ethanone, 1,1'-(2,6-pyridinediyl)bis-
    • P34UXL3MYV
    • EINECS 214-442-9
    • NSC-63355
    • DTXSID10150202
    • NSC 63355
    • 1,1'-(2,6-PYRIDINEDIYL)BIS(ETHANONE)
    • 1,1'-(2,6-Pyridinediyl)bis[ethanone]
    • Pyridine2,6diacetyl
    • RefChem:445277
    • DTXCID0072693
    • 214-442-9
    • 1-(6-acetylpyridin-2-yl)ethanone
    • MFCD00006304
    • 1,1'-(pyridine-2,6-diyl)diethanone
    • 1-(6-acetylpyridin-2-yl)ethan-1-one
    • 1-(6-acetyl-2-pyridyl)ethanone
    • 1-(6-Acetyl-pyridin-2-yl)-ethanone
    • NSC63355
    • 2,6diacetylpyridine
    • UNII-P34UXL3MYV
    • 2 pound not6-Diacetylpyridine
    • 2,6-Diacetylpyridine, 99%
    • SCHEMBL455687
    • BEZVGIHGZPLGBL-UHFFFAOYSA-
    • 1,1'-pyridine-2,6-diyldiethanone
    • BBL100152
    • GEO-00906
    • SBB055536
    • STK087382
    • 1,1'-(2,6-Pyridinediyl)diethanone
    • AKOS003595902
    • AC-6429
    • CS-W001999
    • EBC-656461
    • FD01991
    • NCGC00340769-01
    • BP-20094
    • SY010398
    • TS-03571
    • DB-013979
    • D2377
    • NS00023665
    • ST50307722
    • 1,1'-(Pyridine-2,6-diyl)di(ethan-1-one)
    • D58390
    • 2,6-Diacetylpyridine, purum, >=98.0% (GC)
    • AB01332223-02
    • EN300-6736941
    • 129D302
    • F011668
    • Q4596808
    • InChI=1/C9H9NO2/c1-6(11)8-4-3-5-9(10-8)7(2)12/h3-5H,1-2H3
    • 1129-30-2

  • Applications

    2,6-Diacetylpyridine (CAS 1129-30-2) serves as a versatile organic synthesis intermediate for accessing substituted pyridines and heterocyclic systems, a building block for chelating ligands and metal complex precursors in coordination chemistry, and a precursor for pharmaceutical intermediates; it is also explored in research and development for ligand design in homogeneous catalysis and related catalytic processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 91.77
    methanol 158.96
    isopropanol 61.63
    water 11.24
    ethyl acetate 130.6
    n-propanol 66.11
    acetone 244.89
    n-butanol 51.03
    acetonitrile 177.72
    DMF 460.81
    toluene 61.79
    isobutanol 52.74
    1,4-dioxane 297.24
    methyl acetate 184.56
    THF 261.21
    2-butanone 152.49
    n-pentanol 43.74
    sec-butanol 56.31
    n-hexane 5.67
    ethylene glycol 47.39
    NMP 532.39
    cyclohexane 12.94
    DMSO 420.67
    n-butyl acetate 80.35
    n-octanol 41.57
    chloroform 244.05
    n-propyl acetate 79.26
    acetic acid 141.61
    dichloromethane 433.65
    cyclohexanone 236.04
    propylene glycol 33.26
    isopropyl acetate 58.91
    DMAc 457.3
    2-ethoxyethanol 96.86
    isopentanol 46.64
    n-heptane 7.99
    ethyl formate 168.5
    1,2-dichloroethane 219.06
    n-hexanol 47.36
    2-methoxyethanol 174.46
    isobutyl acetate 43.64
    tetrachloromethane 31.1
    n-pentyl acetate 55.18
    transcutol 199.63
    n-heptanol 31.75
    ethylbenzene 49.48
    MIBK 52.5
    2-propoxyethanol 94.62
    tert-butanol 79.08
    MTBE 59.83
    2-butoxyethanol 61.05
    propionic acid 107.78
    o-xylene 67.21
    formic acid 103.28
    diethyl ether 67.02
    m-xylene 51.3
    p-xylene 73.26
    chlorobenzene 106.35
    dimethyl carbonate 86.4
    n-octane 5.02
    formamide 190.36
    cyclopentanone 304.1
    2-pentanone 90.98
    anisole 106.47
    cyclopentyl methyl ether 94.64
    gamma-butyrolactone 413.59
    1-methoxy-2-propanol 88.48
    pyridine 203.04
    3-pentanone 91.23
    furfural 372.34
    n-dodecane 5.63
    diethylene glycol 97.91
    diisopropyl ether 19.03
    tert-amyl alcohol 68.83
    acetylacetone 142.04
    n-hexadecane 6.33
    acetophenone 126.25
    methyl propionate 132.74
    isopentyl acetate 64.44
    trichloroethylene 365.88
    n-nonanol 37.9
    cyclohexanol 61.99
    benzyl alcohol 88.71
    2-ethylhexanol 38.12
    isooctanol 28.02
    dipropyl ether 45.81
    1,2-dichlorobenzene 118.38
    ethyl lactate 53.74
    propylene carbonate 201.99
    n-methylformamide 240.78
    2-pentanol 30.99
    n-pentane 5.6
    1-propoxy-2-propanol 60.94
    1-methoxy-2-propyl acetate 79.04
    2-(2-methoxypropoxy) propanol 80.74
    mesitylene 32.1
    ε-caprolactone 206.6
    p-cymene 36.68
    epichlorohydrin 342.46
    1,1,1-trichloroethane 124.18
    2-aminoethanol 56.62
    morpholine-4-carbaldehyde 397.34
    sulfolane 417.24
    2,2,4-trimethylpentane 5.16
    2-methyltetrahydrofuran 166.95
    n-hexyl acetate 81.38
    isooctane 2.94
    2-(2-butoxyethoxy)ethanol 88.79
    sec-butyl acetate 44.87
    tert-butyl acetate 54.64
    decalin 9.93
    glycerin 57.98
    diglyme 193.93
    acrylic acid 115.38
    isopropyl myristate 35.68
    n-butyric acid 94.15
    acetyl acetate 91.24
    di(2-ethylhexyl) phthalate 44.55
    ethyl propionate 80.51
    nitromethane 337.8
    1,2-diethoxyethane 82.93
    benzonitrile 138.71
    trioctyl phosphate 33.02
    1-bromopropane 83.78
    gamma-valerolactone 367.74
    n-decanol 30.93
    triethyl phosphate 51.65
    4-methyl-2-pentanol 22.02
    propionitrile 108.93
    vinylene carbonate 223.63
    1,1,2-trichlorotrifluoroethane 182.75
    DMS 99.67
    cumene 37.06
    2-octanol 26.77
    2-hexanone 73.08
    octyl acetate 48.38
    limonene 45.45
    1,2-dimethoxyethane 229.16
    ethyl orthosilicate 44.01
    tributyl phosphate 41.05
    diacetone alcohol 70.14
    N,N-dimethylaniline 84.05
    acrylonitrile 171.48
    aniline 77.07
    1,3-propanediol 68.13
    bromobenzene 101.3
    dibromomethane 223.38
    1,1,2,2-tetrachloroethane 237.82
    2-methyl-cyclohexyl acetate 65.54
    tetrabutyl urea 61.26
    diisobutyl methanol 24.42
    2-phenylethanol 73.55
    styrene 58.95
    dioctyl adipate 60.19
    dimethyl sulfate 163.94
    ethyl butyrate 78.15
    methyl lactate 68.17
    butyl lactate 47.11
    diethyl carbonate 71.54
    propanediol butyl ether 58.69
    triethyl orthoformate 55.58
    p-tert-butyltoluene 31.14
    methyl 4-tert-butylbenzoate 90.3
    morpholine 226.16
    tert-butylamine 45.79
    n-dodecanol 25.46
    dimethoxymethane 193.98
    ethylene carbonate 174.44
    cyrene 105.06
    2-ethoxyethyl acetate 81.56
    2-ethylhexyl acetate 54.33
    1,2,4-trichlorobenzene 136.53
    4-methylpyridine 198.22
    dibutyl ether 45.33
    2,6-dimethyl-4-heptanol 24.42
    DEF 175.64
    dimethyl isosorbide 146.49
    tetrachloroethylene 151.63
    eugenol 85.66
    triacetin 99.95
    span 80 64.06
    1,4-butanediol 37.31
    1,1-dichloroethane 151.21
    2-methyl-1-pentanol 45.12
    methyl formate 258.93
    2-methyl-1-butanol 47.83
    n-decane 8.06
    butyronitrile 95.15
    3,7-dimethyl-1-octanol 37.97
    1-chlorooctane 30.19
    1-chlorotetradecane 15.47
    n-nonane 7.51
    undecane 6.6
    tert-butylcyclohexane 8.33
    cyclooctane 4.4
    cyclopentanol 81.32
    tetrahydropyran 144.88
    tert-amyl methyl ether 54.96
    2,5,8-trioxanonane 139.37
    1-hexene 24.3
    2-isopropoxyethanol 65.37
    2,2,2-trifluoroethanol 90.08
    methyl butyrate 115.55

    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