4-Acetyl-2-isopropenylpyridine

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  • Identifiers

    CAS number
    142896-12-6

    Molecular formula
    C10H11NO

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

  • Odor profile

    Fragrance
    Green 72.26%
    Herbal 57.98%
    Nutty 49.62%
    Roasted 42.41%
    Musty 39.72%
    Earthy 39.1%
    Mint 39.04%
    Grassy 38.61%
    Sweet 35.02%
    Vegetable 33.43%

     

    Flavor
    Nutty 54.21%
    Popcorn 40.82%
    Roasted 36.27%
    Corn 32.0%
    Hazelnut 31.3%
    Roast 29.67%
    Burnt 28.82%
    Musty 28.37%
    Earthy 28.29%
    Chocolate 28.04%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.18 (neutral)

    Molecular weight
    161.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point

    • 113.46 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 142896-12-6
    • 4-acetyl-2-isopropenylpyridine
    • Ethanone, 1-[2-(1-methylethenyl)-4-pyridinyl]
    • 1-(2-prop-1-en-2-ylpyridin-4-yl)ethanone
    • FEMA No. 4637
    • 1-(2-(Prop-1-en-2-yl)pyridin-4-yl)ethanone
    • UNII-B6R53E7DXB
    • B6R53E7DXB
    • (2-(1-Methylethenyl)-4-pyridinyl)ethanone
    • Ethanone, 1-(2-(1-methylethenyl)-4-pyridinyl)-
    • Ethanone, 1-[2-(1-methylethenyl)-4-pyridinyl]-
    • DTXSID60162214
    • Ethanone, 1-[2-(1-methylethenyl)-4-pyridinyl]- (9CI)
    • Pyridine, 4-acetyl-2-(1-methylethenyl)
    • SCHEMBL9444953
    • DTXCID2084705
    • RYNRLVOZUDLPQK-UHFFFAOYSA-N
    • AKOS028108677
    • SB54320
    • DB-287197
    • (2-(1-methyl ethenyl)-4-pyridinyl) ethanone
    • A11154
    • Q27274441
    • 2-(1,3-Dithian-2-ylidene)-3-(2-methyl-3-furyl)-3-oxopropanenitrile

  • Applications

    4-Acetyl-2-isopropenylpyridine (CAS 142896-12-6) is used primarily as an aroma material and synthetic intermediate in the fragrance industry, serving as an odorant or precursor for specific scent notes in perfumery and cosmetic formulations, and it also appears in household cleaning products as a fragrance component. The presence of the isopropenyl group enables participation in polymerization, making it a functional building block for specialty polymers and coating formulations that incorporate pyridine functionality. In industrial manufacturing, it is evaluated as an intermediate for the synthesis of other specialty chemicals, including fragrance-related materials and resinous coatings. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 112.3
    methanol 131.16
    isopropanol 90.56
    water 2.15
    ethyl acetate 115.27
    n-propanol 97.01
    acetone 144.55
    n-butanol 92.21
    acetonitrile 153.43
    DMF 332.99
    toluene 104.57
    isobutanol 83.25
    1,4-dioxane 241.96
    methyl acetate 152.54
    THF 280.84
    2-butanone 152.19
    n-pentanol 72.13
    sec-butanol 92.91
    n-hexane 4.19
    ethylene glycol 34.32
    NMP 276.61
    cyclohexane 10.31
    DMSO 184.39
    n-butyl acetate 100.13
    n-octanol 53.94
    chloroform 359.5
    n-propyl acetate 74.08
    acetic acid 116.4
    dichloromethane 437.06
    cyclohexanone 219.73
    propylene glycol 44.08
    isopropyl acetate 63.86
    DMAc 307.9
    2-ethoxyethanol 96.11
    isopentanol 88.44
    n-heptane 7.74
    ethyl formate 131.11
    1,2-dichloroethane 167.66
    n-hexanol 90.06
    2-methoxyethanol 156.58
    isobutyl acetate 51.67
    tetrachloromethane 44.08
    n-pentyl acetate 58.48
    transcutol 251.16
    n-heptanol 50.77
    ethylbenzene 63.99
    MIBK 65.27
    2-propoxyethanol 131.01
    tert-butanol 116.81
    MTBE 84.87
    2-butoxyethanol 84.11
    propionic acid 95.61
    o-xylene 80.16
    formic acid 54.41
    diethyl ether 63.52
    m-xylene 73.16
    p-xylene 91.95
    chlorobenzene 125.49
    dimethyl carbonate 56.81
    n-octane 4.58
    formamide 93.52
    cyclopentanone 240.61
    2-pentanone 97.78
    anisole 119.73
    cyclopentyl methyl ether 107.85
    gamma-butyrolactone 265.3
    1-methoxy-2-propanol 108.89
    pyridine 230.9
    3-pentanone 84.03
    furfural 273.62
    n-dodecane 5.3
    diethylene glycol 99.67
    diisopropyl ether 20.54
    tert-amyl alcohol 106.78
    acetylacetone 110.14
    n-hexadecane 5.9
    acetophenone 116.63
    methyl propionate 102.38
    isopentyl acetate 90.94
    trichloroethylene 368.85
    n-nonanol 48.37
    cyclohexanol 92.49
    benzyl alcohol 109.88
    2-ethylhexanol 63.19
    isooctanol 43.18
    dipropyl ether 54.77
    1,2-dichlorobenzene 108.99
    ethyl lactate 48.2
    propylene carbonate 167.23
    n-methylformamide 140.76
    2-pentanol 54.7
    n-pentane 4.72
    1-propoxy-2-propanol 90.83
    1-methoxy-2-propyl acetate 94.97
    2-(2-methoxypropoxy) propanol 102.16
    mesitylene 39.46
    ε-caprolactone 176.95
    p-cymene 48.37
    epichlorohydrin 286.65
    1,1,1-trichloroethane 145.41
    2-aminoethanol 63.44
    morpholine-4-carbaldehyde 267.25
    sulfolane 228.03
    2,2,4-trimethylpentane 6.63
    2-methyltetrahydrofuran 207.75
    n-hexyl acetate 89.29
    isooctane 4.05
    2-(2-butoxyethoxy)ethanol 115.24
    sec-butyl acetate 53.29
    tert-butyl acetate 64.9
    decalin 10.53
    glycerin 62.11
    diglyme 198.52
    acrylic acid 84.7
    isopropyl myristate 41.42
    n-butyric acid 125.6
    acetyl acetate 81.88
    di(2-ethylhexyl) phthalate 54.52
    ethyl propionate 68.05
    nitromethane 187.99
    1,2-diethoxyethane 94.94
    benzonitrile 145.21
    trioctyl phosphate 35.66
    1-bromopropane 95.84
    gamma-valerolactone 267.12
    n-decanol 38.79
    triethyl phosphate 51.18
    4-methyl-2-pentanol 37.32
    propionitrile 122.63
    vinylene carbonate 167.82
    1,1,2-trichlorotrifluoroethane 159.75
    DMS 83.8
    cumene 46.82
    2-octanol 37.42
    2-hexanone 79.99
    octyl acetate 53.67
    limonene 59.84
    1,2-dimethoxyethane 191.81
    ethyl orthosilicate 47.48
    tributyl phosphate 43.52
    diacetone alcohol 87.59
    N,N-dimethylaniline 96.25
    acrylonitrile 154.03
    aniline 119.61
    1,3-propanediol 87.25
    bromobenzene 124.21
    dibromomethane 225.23
    1,1,2,2-tetrachloroethane 231.44
    2-methyl-cyclohexyl acetate 81.83
    tetrabutyl urea 60.8
    diisobutyl methanol 35.79
    2-phenylethanol 106.53
    styrene 74.57
    dioctyl adipate 63.85
    dimethyl sulfate 83.63
    ethyl butyrate 84.96
    methyl lactate 57.31
    butyl lactate 54.61
    diethyl carbonate 68.94
    propanediol butyl ether 75.68
    triethyl orthoformate 59.63
    p-tert-butyltoluene 42.61
    methyl 4-tert-butylbenzoate 98.19
    morpholine 245.68
    tert-butylamine 72.5
    n-dodecanol 31.39
    dimethoxymethane 139.22
    ethylene carbonate 132.23
    cyrene 108.71
    2-ethoxyethyl acetate 86.53
    2-ethylhexyl acetate 74.65
    1,2,4-trichlorobenzene 134.75
    4-methylpyridine 236.63
    dibutyl ether 54.8
    2,6-dimethyl-4-heptanol 35.79
    DEF 133.85
    dimethyl isosorbide 170.28
    tetrachloroethylene 139.32
    eugenol 99.16
    triacetin 88.84
    span 80 82.59
    1,4-butanediol 43.52
    1,1-dichloroethane 170.74
    2-methyl-1-pentanol 81.25
    methyl formate 129.93
    2-methyl-1-butanol 87.95
    n-decane 7.77
    butyronitrile 129.81
    3,7-dimethyl-1-octanol 55.02
    1-chlorooctane 33.24
    1-chlorotetradecane 16.03
    n-nonane 6.7
    undecane 6.27
    tert-butylcyclohexane 10.57
    cyclooctane 3.46
    cyclopentanol 103.8
    tetrahydropyran 174.01
    tert-amyl methyl ether 68.78
    2,5,8-trioxanonane 154.08
    1-hexene 27.25
    2-isopropoxyethanol 75.56
    2,2,2-trifluoroethanol 57.2
    methyl butyrate 102.2

    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