4-Pyridinylacetone

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  • Identifiers

    CAS number
    6304-16-1

    Molecular formula
    C8H9NO

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 57.23%
    Fruity 54.46%
    Green 50.72%
    Burnt 45.93%
    Roasted 45.33%
    Herbal 43.37%
    Caramellic 43.01%
    Woody 41.25%
    Sweet 38.53%
    Musty 36.9%

     

    Flavor
    Sweet 43.14%
    Spicy 37.85%
    Nutty 32.07%
    Fruity 28.58%
    Green 28.07%
    Oily 27.13%
    Woody 26.97%
    Floral 26.6%
    Fatty 26.55%
    Musty 26.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    5.69 (weak acid)

    Molecular weight
    135.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    241°C

    Flash point

    • 106.38 ˚C est.

  • Synonyms

    • 6304-16-1
    • 4-Pyridinylacetone
    • 4-pyridylacetone
    • 1-(4-Pyridyl)acetone
    • 4-Acetonylpyridine
    • UNII-R6ONM9F2AU
    • R6ONM9F2AU
    • EINECS 228-605-7
    • NSC-42613
    • DTXSID20212325
    • METHYL 4-PYRIDYLMETHYL KETONE
    • 2-PROPANONE, (4-PYRIDYL)-
    • NSC 42613
    • 2-PROPANONE, 1-(4-PYRIDYL)-
    • RefChem:100454
    • DTXCID20134816
    • ILRVKOYYFFNXDB-UHFFFAOYSA-N
    • (4-Pyridyl)acetone
    • 4-Pyridyl acetone
    • 1-(4-pyridinyl)-2-propanone
    • 1-(pyridin-4-yl)propan-2-one
    • 2-Propanone, 1-(4-pyridinyl)-
    • MFCD00129043
    • 1-pyridin-4-ylpropan-2-one
    • 1-(4-Pyridyl)-2-propanone
    • 1-PYRIDIN-4-YL-2-OXO-PROPANE
    • Milrinone RC 8
    • NSC42613
    • Milrinone Impurity K
    • 1-(4-Pyridinyl)acetone
    • 1-(4-pyridinyl)propanone
    • 1-(4-Pyridinyl)acetone #
    • 4-(2'-oxopropyl)-pyridine
    • SCHEMBL48403
    • 1-(4-pyridyl)propan-2-one
    • 1-pyridin-4-yl-propan-2-one
    • 4-pyridinylmethyl methyl ketone
    • orb3023691
    • SCHEMBL8073796
    • SCHEMBL27856314
    • (4-pyridinyl)methyl methyl ketone
    • SBB055597
    • AKOS009097741
    • CS-W002401
    • DS-1184
    • FP36055
    • AC-19864
    • SY002437
    • TS-01741
    • DB-054385
    • NS00035263
    • P2039
    • ST51028402
    • EN300-67060
    • 304P161
    • F068404
    • Q27287862
    • F0001-1710
    • Z992409812
    • 6304-16-1

  • Applications

    4-Pyridinylacetone (CAS 6304-16-1) is primarily used as an organic intermediate in the synthesis of pyridine-containing heterocycles for pharmaceutical and agrochemical research and development; it also serves as a common synthon to prepare metal-binding ligands and metal complexes for catalysis and materials applications, including electronics and photonics; it is used as a building block for dye and pigment precursors and for coatings and inks; and it is evaluated as a potential component in materials and technologies based on pyridine chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 305.45
    methanol 495.95
    isopropanol 205.67
    water 73.51
    ethyl acetate 149.9
    n-propanol 222.81
    acetone 346.22
    n-butanol 166.06
    acetonitrile 258.76
    DMF 836.02
    toluene 64.7
    isobutanol 155.22
    1,4-dioxane 270.99
    methyl acetate 210.06
    THF 268.09
    2-butanone 212.33
    n-pentanol 102.79
    sec-butanol 153.29
    n-hexane 9.91
    ethylene glycol 317.46
    NMP 555.12
    cyclohexane 8.81
    DMSO 603.31
    n-butyl acetate 57.62
    n-octanol 62.07
    chloroform 325.87
    n-propyl acetate 57.63
    acetic acid 392.56
    dichloromethane 278.3
    cyclohexanone 220.72
    propylene glycol 270.48
    isopropyl acetate 70.55
    DMAc 709.68
    2-ethoxyethanol 210.86
    isopentanol 118.41
    n-heptane 9.44
    ethyl formate 94.45
    1,2-dichloroethane 141.34
    n-hexanol 109.84
    2-methoxyethanol 424.6
    isobutyl acetate 44.56
    tetrachloromethane 45.77
    n-pentyl acetate 43.42
    transcutol 510.71
    n-heptanol 50.44
    ethylbenzene 30.39
    MIBK 78.25
    2-propoxyethanol 214.72
    tert-butanol 199.97
    MTBE 107.86
    2-butoxyethanol 108.66
    propionic acid 276.01
    o-xylene 57.59
    formic acid 292.91
    diethyl ether 115.6
    m-xylene 58.48
    p-xylene 41.31
    chlorobenzene 84.54
    dimethyl carbonate 103.25
    n-octane 3.93
    formamide 244.81
    cyclopentanone 289.58
    2-pentanone 140.61
    anisole 99.64
    cyclopentyl methyl ether 145.11
    gamma-butyrolactone 308.85
    1-methoxy-2-propanol 289.49
    pyridine 181.46
    3-pentanone 137.38
    furfural 298.28
    n-dodecane 4.7
    diethylene glycol 263.65
    diisopropyl ether 28.37
    tert-amyl alcohol 150.31
    acetylacetone 159.84
    n-hexadecane 5.06
    acetophenone 99.83
    methyl propionate 188.76
    isopentyl acetate 54.7
    trichloroethylene 291.94
    n-nonanol 51.44
    cyclohexanol 125.97
    benzyl alcohol 100.82
    2-ethylhexanol 54.69
    isooctanol 41.68
    dipropyl ether 54.1
    1,2-dichlorobenzene 87.07
    ethyl lactate 72.05
    propylene carbonate 135.41
    n-methylformamide 334.52
    2-pentanol 99.44
    n-pentane 9.37
    1-propoxy-2-propanol 133.44
    1-methoxy-2-propyl acetate 96.7
    2-(2-methoxypropoxy) propanol 130.2
    mesitylene 33.57
    ε-caprolactone 165.92
    p-cymene 27.6
    epichlorohydrin 258.1
    1,1,1-trichloroethane 140.98
    2-aminoethanol 316.16
    morpholine-4-carbaldehyde 447.04
    sulfolane 351.34
    2,2,4-trimethylpentane 8.65
    2-methyltetrahydrofuran 198.27
    n-hexyl acetate 86.08
    isooctane 6.02
    2-(2-butoxyethoxy)ethanol 159.12
    sec-butyl acetate 43.86
    tert-butyl acetate 70.72
    decalin 9.41
    glycerin 354.06
    diglyme 256.64
    acrylic acid 272.76
    isopropyl myristate 34.33
    n-butyric acid 187.03
    acetyl acetate 93.05
    di(2-ethylhexyl) phthalate 47.97
    ethyl propionate 68.29
    nitromethane 454.26
    1,2-diethoxyethane 91.6
    benzonitrile 104.81
    trioctyl phosphate 32.73
    1-bromopropane 82.25
    gamma-valerolactone 338.15
    n-decanol 39.77
    triethyl phosphate 39.57
    4-methyl-2-pentanol 55.57
    propionitrile 155.48
    vinylene carbonate 145.86
    1,1,2-trichlorotrifluoroethane 267.18
    DMS 99.18
    cumene 28.27
    2-octanol 33.48
    2-hexanone 72.91
    octyl acetate 47.85
    limonene 39.36
    1,2-dimethoxyethane 210.8
    ethyl orthosilicate 37.46
    tributyl phosphate 39.56
    diacetone alcohol 130.67
    N,N-dimethylaniline 82.78
    acrylonitrile 209.75
    aniline 131.94
    1,3-propanediol 251.76
    bromobenzene 69.3
    dibromomethane 152.38
    1,1,2,2-tetrachloroethane 233.65
    2-methyl-cyclohexyl acetate 53.8
    tetrabutyl urea 58.2
    diisobutyl methanol 33.77
    2-phenylethanol 82.81
    styrene 38.05
    dioctyl adipate 54.94
    dimethyl sulfate 189.03
    ethyl butyrate 50.78
    methyl lactate 154.5
    butyl lactate 59.37
    diethyl carbonate 42.19
    propanediol butyl ether 132.03
    triethyl orthoformate 42.37
    p-tert-butyltoluene 26.62
    methyl 4-tert-butylbenzoate 97.16
    morpholine 322.51
    tert-butylamine 109.55
    n-dodecanol 31.47
    dimethoxymethane 254.18
    ethylene carbonate 108.09
    cyrene 130.42
    2-ethoxyethyl acetate 74.97
    2-ethylhexyl acetate 42.11
    1,2,4-trichlorobenzene 111.1
    4-methylpyridine 184.16
    dibutyl ether 45.13
    2,6-dimethyl-4-heptanol 33.77
    DEF 229.27
    dimethyl isosorbide 156.41
    tetrachloroethylene 158.68
    eugenol 99.34
    triacetin 108.86
    span 80 102.23
    1,4-butanediol 127.91
    1,1-dichloroethane 171.33
    2-methyl-1-pentanol 86.47
    methyl formate 217.44
    2-methyl-1-butanol 127.53
    n-decane 6.84
    butyronitrile 114.95
    3,7-dimethyl-1-octanol 55.76
    1-chlorooctane 30.1
    1-chlorotetradecane 13.77
    n-nonane 6.53
    undecane 5.56
    tert-butylcyclohexane 10.84
    cyclooctane 4.18
    cyclopentanol 153.45
    tetrahydropyran 179.46
    tert-amyl methyl ether 90.86
    2,5,8-trioxanonane 190.68
    1-hexene 35.51
    2-isopropoxyethanol 126.95
    2,2,2-trifluoroethanol 173.55
    methyl butyrate 81.9

    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