2-Acetyl-4-isopropenylpyridine

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  • Identifiers

    CAS number
    142896-11-5

    Molecular formula
    C10H11NO

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

  • Odor profile

    Fragrance
    Green 77.48%
    Herbal 60.2%
    Sweet 52.77%
    Mint 42.89%
    Nutty 42.4%
    Grassy 39.24%
    Musty 37.83%
    Leafy 36.3%
    Woody 33.44%
    Earthy 33.31%

     

    Flavor
    Nutty 51.02%
    Popcorn 35.6%
    Roasted 35.08%
    Hazelnut 31.07%
    Corn 28.51%
    Roast 27.9%
    Earthy 27.69%
    Musty 26.95%
    Burnt 26.89%
    Chocolate 26.06%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.51 (neutral)

    Molecular weight
    161.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    250°C

    Flash point

    • 116.08 ˚C est.

    Solubility expt.

    • Sparingly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 142896-11-5
    • 2-acetyl-4-isopropenylpyridine
    • Ethanone, 1-[4-(1-methylethenyl)-2-pyridinyl]-
    • 1-(4-prop-1-en-2-ylpyridin-2-yl)ethanone
    • FEMA No. 4636
    • 1-(4-(Prop-1-en-2-yl)pyridin-2-yl)ethanone
    • Ethanone, 1-[4-(1-methylethenyl)-2-pyridinyl]- (9CI)
    • UNII-X5N63661OZ
    • (4-(1-Methylethenyl)-2-pyridinyl)ethanone
    • X5N63661OZ
    • Ethanone, 1-(4-(1-methylethenyl)-2-pyridinyl)-
    • Pyridine, 2-acetyl-4-(1-methylethenyl)
    • DTXSID00162213
    • Ethanone, 1-[4-(1-methylethenyl)-2-pyridinyl]
    • SCHEMBL9444899
    • DTXCID7084704
    • QGALSOGFUDWZMF-UHFFFAOYSA-N
    • AKOS028108676
    • DB-287239
    • (4-(1-methyl ethenyl)-2-pyridinyl) ethanone
    • A11153
    • Ethanone,1-[4-(1-methylethenyl)-2-pyridinyl]-(9ci)
    • Q27293580

  • Applications

    2-Acetyl-4-isopropenylpyridine (CAS 142896-11-5) is primarily used as a synthetic intermediate in organic and heterocyclic chemistry to access functionalized pyridine derivatives for fragrance and flavor applications. It is commonly evaluated as an odorant or fragrance-building block in perfumery and cosmetics, contributing to green, herbal, or woody notes through the pyridine core and the vinyl isopropenyl side chain. The isopropenyl group provides a reactive handle that can participate in polymerization or further chemical modification, making it useful as a reactive intermediate or crosslinking precursor in specialty coatings, inks, and adhesives. In addition, it may serve as a synthesis intermediate for pharmaceutical or agricultural chemical research where substituted pyridines are common scaffolds. Its use is typically subject to formulation considerations and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 69.3
    methanol 90.95
    isopropanol 53.1
    water 1.38
    ethyl acetate 68.97
    n-propanol 62.5
    acetone 91.99
    n-butanol 56.01
    acetonitrile 87.1
    DMF 316.4
    toluene 55.68
    isobutanol 53.62
    1,4-dioxane 171.96
    methyl acetate 92.19
    THF 185.95
    2-butanone 89.28
    n-pentanol 42.39
    sec-butanol 48.44
    n-hexane 1.33
    ethylene glycol 30.13
    NMP 230.87
    cyclohexane 4.72
    DMSO 166.87
    n-butyl acetate 65.13
    n-octanol 28.72
    chloroform 195.26
    n-propyl acetate 42.1
    acetic acid 80.35
    dichloromethane 246.58
    cyclohexanone 159.1
    propylene glycol 36.64
    isopropyl acetate 37.28
    DMAc 242.06
    2-ethoxyethanol 64.8
    isopentanol 51.89
    n-heptane 3.38
    ethyl formate 89.54
    1,2-dichloroethane 109.61
    n-hexanol 59.39
    2-methoxyethanol 128.82
    isobutyl acetate 29.96
    tetrachloromethane 24.59
    n-pentyl acetate 34.2
    transcutol 199.22
    n-heptanol 31.41
    ethylbenzene 33.08
    MIBK 39.33
    2-propoxyethanol 99.97
    tert-butanol 75.59
    MTBE 40.1
    2-butoxyethanol 58.93
    propionic acid 64.67
    o-xylene 46.7
    formic acid 46.62
    diethyl ether 27.25
    m-xylene 43.69
    p-xylene 49.56
    chlorobenzene 83.49
    dimethyl carbonate 39.57
    n-octane 1.83
    formamide 79.08
    cyclopentanone 174.02
    2-pentanone 58.49
    anisole 73.31
    cyclopentyl methyl ether 64.99
    gamma-butyrolactone 193.37
    1-methoxy-2-propanol 89.43
    pyridine 153.71
    3-pentanone 47.55
    furfural 215.95
    n-dodecane 2.3
    diethylene glycol 85.45
    diisopropyl ether 9.59
    tert-amyl alcohol 61.74
    acetylacetone 73.8
    n-hexadecane 2.62
    acetophenone 74.22
    methyl propionate 68.03
    isopentyl acetate 60.74
    trichloroethylene 250.0
    n-nonanol 27.01
    cyclohexanol 58.3
    benzyl alcohol 74.0
    2-ethylhexanol 41.67
    isooctanol 26.53
    dipropyl ether 31.16
    1,2-dichlorobenzene 75.43
    ethyl lactate 33.19
    propylene carbonate 122.64
    n-methylformamide 118.93
    2-pentanol 28.05
    n-pentane 1.52
    1-propoxy-2-propanol 66.37
    1-methoxy-2-propyl acetate 68.7
    2-(2-methoxypropoxy) propanol 74.29
    mesitylene 23.12
    ε-caprolactone 122.9
    p-cymene 31.35
    epichlorohydrin 210.87
    1,1,1-trichloroethane 86.93
    2-aminoethanol 52.48
    morpholine-4-carbaldehyde 212.84
    sulfolane 180.16
    2,2,4-trimethylpentane 2.79
    2-methyltetrahydrofuran 127.39
    n-hexyl acetate 52.14
    isooctane 1.83
    2-(2-butoxyethoxy)ethanol 84.93
    sec-butyl acetate 29.63
    tert-butyl acetate 41.33
    decalin 5.04
    glycerin 58.11
    diglyme 152.86
    acrylic acid 60.82
    isopropyl myristate 24.7
    n-butyric acid 85.92
    acetyl acetate 51.02
    di(2-ethylhexyl) phthalate 37.84
    ethyl propionate 39.85
    nitromethane 138.6
    1,2-diethoxyethane 60.47
    benzonitrile 96.81
    trioctyl phosphate 24.08
    1-bromopropane 47.7
    gamma-valerolactone 221.4
    n-decanol 22.42
    triethyl phosphate 37.09
    4-methyl-2-pentanol 21.7
    propionitrile 73.64
    vinylene carbonate 127.65
    1,1,2-trichlorotrifluoroethane 123.78
    DMS 55.45
    cumene 26.08
    2-octanol 20.46
    2-hexanone 45.55
    octyl acetate 32.28
    limonene 38.23
    1,2-dimethoxyethane 132.77
    ethyl orthosilicate 33.83
    tributyl phosphate 29.03
    diacetone alcohol 62.98
    N,N-dimethylaniline 58.66
    acrylonitrile 101.51
    aniline 80.42
    1,3-propanediol 71.63
    bromobenzene 79.05
    dibromomethane 120.54
    1,1,2,2-tetrachloroethane 154.99
    2-methyl-cyclohexyl acetate 56.24
    tetrabutyl urea 42.07
    diisobutyl methanol 23.92
    2-phenylethanol 77.42
    styrene 38.0
    dioctyl adipate 42.82
    dimethyl sulfate 65.13
    ethyl butyrate 54.49
    methyl lactate 44.27
    butyl lactate 37.64
    diethyl carbonate 46.57
    propanediol butyl ether 53.67
    triethyl orthoformate 41.15
    p-tert-butyltoluene 27.54
    methyl 4-tert-butylbenzoate 69.91
    morpholine 173.48
    tert-butylamine 41.48
    n-dodecanol 18.22
    dimethoxymethane 109.74
    ethylene carbonate 97.45
    cyrene 82.24
    2-ethoxyethyl acetate 56.63
    2-ethylhexyl acetate 48.62
    1,2,4-trichlorobenzene 93.15
    4-methylpyridine 160.53
    dibutyl ether 27.99
    2,6-dimethyl-4-heptanol 23.92
    DEF 90.36
    dimethyl isosorbide 130.37
    tetrachloroethylene 92.49
    eugenol 70.83
    triacetin 58.07
    span 80 60.19
    1,4-butanediol 32.35
    1,1-dichloroethane 97.24
    2-methyl-1-pentanol 46.96
    methyl formate 105.65
    2-methyl-1-butanol 52.16
    n-decane 3.25
    butyronitrile 75.04
    3,7-dimethyl-1-octanol 32.24
    1-chlorooctane 16.13
    1-chlorotetradecane 8.43
    n-nonane 2.63
    undecane 2.69
    tert-butylcyclohexane 5.04
    cyclooctane 1.42
    cyclopentanol 68.64
    tetrahydropyran 99.56
    tert-amyl methyl ether 34.52
    2,5,8-trioxanonane 120.84
    1-hexene 10.17
    2-isopropoxyethanol 48.11
    2,2,2-trifluoroethanol 42.11
    methyl butyrate 62.63

    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