2-Acetyl-4-isopropylpyridine

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  • Identifiers

    CAS number
    142896-09-1

    Molecular formula
    C10H13NO

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

  • Odor profile

    Fragrance
    Green 86.03%
    Herbal 68.48%
    Leafy 50.9%
    Earthy 47.11%
    Woody 38.14%
    Mint 37.67%
    Grassy 36.99%
    Cortex 36.58%
    Nutty 31.98%
    Vegetable 30.84%

     

    Flavor
    Herbal 42.08%
    Earthy 39.87%
    Nutty 33.86%
    Musty 31.59%
    Green 31.5%
    Woody 30.13%
    Hazelnut 26.76%
    Roasted 26.09%
    Pepper 25.75%
    Burnt 25.02%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.51 (neutral)

    Molecular weight
    163.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    240°C

    Flash point

    • 110.89 ˚C est.

    Solubility expt.

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

  • Synonyms

    • 142896-09-1
    • 1-(4-Isopropylpyridin-2-yl)ethanone
    • 2-acetyl-4-isopropylpyridine
    • 1-(4-propan-2-ylpyridin-2-yl)ethanone
    • FEMA No. 4638
    • UNII-JRF96H7XWL
    • JRF96H7XWL
    • (4-(1-Methylethyl)-2-pyridinyl)ethanone
    • Ethanone, 1-(4-(1-methylethyl)-2-pyridinyl)-
    • DTXSID40162212
    • Ethanone, 1-[4-(1-methylethyl)-2-pyridinyl]-
    • Ethanone, 1-[4-(1-methylethyl)-2-pyridinyl]- (9CI)
    • Pyridine, 2-acetyl-4-(1-methylethyl)
    • SCHEMBL6169475
    • DTXCID2084703
    • GS2494
    • AKOS025394368
    • SB54498
    • BS-49693
    • 1-[4-(propan-2-yl)pyridin-2-yl]ethan-1-one
    • E84858
    • Q27281649

  • Applications

    2-Acetyl-4-isopropylpyridine, CAS number: 142896-09-1, is used primarily as an aroma/flavor ingredient or precursor in fragrance and flavor applications, contributing roasted or coffee-like notes associated with acetylpyridine derivatives. It also serves as a building block in the synthesis of more complex pyridine-based fragrance ingredients and can be used in cosmetics/personal care formulations as a fragrance component. In industrial manufacturing, it is encountered as an intermediate in organic synthesis for access to substituted pyridine compounds and related heterocycles. It may also be employed as an odor-active additive in household products and in polymer/plastic formulations where fragrance notes are desired. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 88.69
    methanol 91.13
    isopropanol 63.5
    water 0.92
    ethyl acetate 78.41
    n-propanol 77.74
    acetone 130.04
    n-butanol 68.56
    acetonitrile 100.82
    DMF 354.07
    toluene 75.08
    isobutanol 66.3
    1,4-dioxane 191.56
    methyl acetate 108.84
    THF 241.78
    2-butanone 113.52
    n-pentanol 48.26
    sec-butanol 57.77
    n-hexane 2.29
    ethylene glycol 34.92
    NMP 326.42
    cyclohexane 9.39
    DMSO 208.0
    n-butyl acetate 93.7
    n-octanol 31.4
    chloroform 423.6
    n-propyl acetate 51.29
    acetic acid 111.39
    dichloromethane 475.1
    cyclohexanone 236.45
    propylene glycol 42.89
    isopropyl acetate 42.94
    DMAc 249.05
    2-ethoxyethanol 61.39
    isopentanol 58.99
    n-heptane 4.51
    ethyl formate 112.54
    1,2-dichloroethane 216.51
    n-hexanol 80.04
    2-methoxyethanol 128.68
    isobutyl acetate 36.6
    tetrachloromethane 51.72
    n-pentyl acetate 44.58
    transcutol 179.53
    n-heptanol 37.94
    ethylbenzene 39.76
    MIBK 44.14
    2-propoxyethanol 116.39
    tert-butanol 82.51
    MTBE 47.7
    2-butoxyethanol 64.3
    propionic acid 92.75
    o-xylene 60.45
    formic acid 44.49
    diethyl ether 32.4
    m-xylene 54.63
    p-xylene 59.73
    chlorobenzene 133.79
    dimethyl carbonate 39.34
    n-octane 2.42
    formamide 72.72
    cyclopentanone 266.66
    2-pentanone 71.52
    anisole 74.9
    cyclopentyl methyl ether 77.15
    gamma-butyrolactone 298.86
    1-methoxy-2-propanol 89.4
    pyridine 222.2
    3-pentanone 59.45
    furfural 313.36
    n-dodecane 2.84
    diethylene glycol 92.69
    diisopropyl ether 11.11
    tert-amyl alcohol 65.89
    acetylacetone 93.33
    n-hexadecane 3.27
    acetophenone 84.29
    methyl propionate 80.79
    isopentyl acetate 82.96
    trichloroethylene 476.43
    n-nonanol 28.36
    cyclohexanol 77.39
    benzyl alcohol 82.95
    2-ethylhexanol 51.3
    isooctanol 30.85
    dipropyl ether 32.97
    1,2-dichlorobenzene 121.43
    ethyl lactate 38.28
    propylene carbonate 190.12
    n-methylformamide 141.55
    2-pentanol 33.29
    n-pentane 2.42
    1-propoxy-2-propanol 78.51
    1-methoxy-2-propyl acetate 83.87
    2-(2-methoxypropoxy) propanol 70.29
    mesitylene 30.94
    ε-caprolactone 180.57
    p-cymene 38.8
    epichlorohydrin 295.46
    1,1,1-trichloroethane 173.75
    2-aminoethanol 59.61
    morpholine-4-carbaldehyde 251.03
    sulfolane 301.85
    2,2,4-trimethylpentane 3.94
    2-methyltetrahydrofuran 156.53
    n-hexyl acetate 64.86
    isooctane 2.59
    2-(2-butoxyethoxy)ethanol 83.37
    sec-butyl acetate 33.81
    tert-butyl acetate 50.1
    decalin 7.43
    glycerin 63.53
    diglyme 146.31
    acrylic acid 92.56
    isopropyl myristate 27.98
    n-butyric acid 118.86
    acetyl acetate 60.16
    di(2-ethylhexyl) phthalate 45.16
    ethyl propionate 43.51
    nitromethane 179.62
    1,2-diethoxyethane 58.59
    benzonitrile 134.7
    trioctyl phosphate 29.53
    1-bromopropane 88.39
    gamma-valerolactone 313.34
    n-decanol 23.02
    triethyl phosphate 43.18
    4-methyl-2-pentanol 24.4
    propionitrile 92.19
    vinylene carbonate 193.11
    1,1,2-trichlorotrifluoroethane 172.75
    DMS 69.16
    cumene 31.65
    2-octanol 24.06
    2-hexanone 53.63
    octyl acetate 37.37
    limonene 49.66
    1,2-dimethoxyethane 116.03
    ethyl orthosilicate 38.51
    tributyl phosphate 33.97
    diacetone alcohol 73.89
    N,N-dimethylaniline 59.13
    acrylonitrile 136.61
    aniline 99.71
    1,3-propanediol 78.1
    bromobenzene 136.5
    dibromomethane 247.95
    1,1,2,2-tetrachloroethane 309.08
    2-methyl-cyclohexyl acetate 66.56
    tetrabutyl urea 45.1
    diisobutyl methanol 27.27
    2-phenylethanol 94.71
    styrene 48.52
    dioctyl adipate 49.63
    dimethyl sulfate 76.01
    ethyl butyrate 64.37
    methyl lactate 52.21
    butyl lactate 48.8
    diethyl carbonate 55.02
    propanediol butyl ether 61.19
    triethyl orthoformate 46.3
    p-tert-butyltoluene 34.28
    methyl 4-tert-butylbenzoate 79.12
    morpholine 200.75
    tert-butylamine 47.46
    n-dodecanol 19.02
    dimethoxymethane 100.97
    ethylene carbonate 145.34
    cyrene 93.0
    2-ethoxyethyl acetate 68.59
    2-ethylhexyl acetate 66.8
    1,2,4-trichlorobenzene 147.85
    4-methylpyridine 217.76
    dibutyl ether 27.36
    2,6-dimethyl-4-heptanol 27.27
    DEF 103.17
    dimethyl isosorbide 139.76
    tetrachloroethylene 187.28
    eugenol 77.67
    triacetin 67.1
    span 80 67.04
    1,4-butanediol 35.05
    1,1-dichloroethane 194.07
    2-methyl-1-pentanol 52.19
    methyl formate 123.14
    2-methyl-1-butanol 61.54
    n-decane 3.85
    butyronitrile 95.1
    3,7-dimethyl-1-octanol 34.0
    1-chlorooctane 22.03
    1-chlorotetradecane 10.36
    n-nonane 3.31
    undecane 3.29
    tert-butylcyclohexane 7.12
    cyclooctane 2.63
    cyclopentanol 98.13
    tetrahydropyran 130.74
    tert-amyl methyl ether 38.23
    2,5,8-trioxanonane 112.18
    1-hexene 15.24
    2-isopropoxyethanol 47.25
    2,2,2-trifluoroethanol 54.69
    methyl butyrate 73.47

    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