1-(2-Isopropylpyridin-3-yl)ethanone

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  • Identifiers

    CAS number
    1624262-09-4

    Molecular formula
    C10H13NO

    SMILES
    CC(C)C1=C(C=CC=N1)C(=O)C

  • Odor profile

    Green 72.53%
    Herbal 66.37%
    Earthy 48.88%
    Leafy 44.0%
    Woody 40.48%
    Nutty 38.22%
    Mint 37.68%
    Grassy 35.43%
    Musty 32.93%
    Cortex 31.41%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    6.47 (neutral)

    Molecular weight
    163.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Flash point est.
    102.1 ˚C

  • Synonyms

    • 1-(2-Isopropylpyridin-3-yl)ethanone
    • 1624262-09-4
    • SCHEMBL16414490
    • GS2347
    • AKOS024463018
    • SB52673

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 358.91
    methanol 529.63
    isopropanol 292.29
    water 2.5
    ethyl acetate 423.48
    n-propanol 345.27
    acetone 594.32
    n-butanol 329.2
    acetonitrile 417.15
    DMF 956.34
    toluene 322.73
    isobutanol 277.64
    1,4-dioxane 819.68
    methyl acetate 412.89
    THF 1110.48
    2-butanone 512.51
    n-pentanol 233.7
    sec-butanol 295.92
    n-hexane 65.53
    ethylene glycol 149.19
    NMP 792.41
    cyclohexane 76.2
    DMSO 660.29
    n-butyl acetate 276.06
    n-octanol 182.69
    chloroform 1370.0
    n-propyl acetate 222.06
    acetic acid 273.23
    dichloromethane 1330.58
    cyclohexanone 745.72
    propylene glycol 153.14
    isopropyl acetate 235.4
    DMAc 644.99
    2-ethoxyethanol 286.12
    isopentanol 264.0
    n-heptane 37.83
    ethyl formate 323.55
    1,2-dichloroethane 835.93
    n-hexanol 307.69
    2-methoxyethanol 542.54
    isobutyl acetate 157.1
    tetrachloromethane 236.34
    n-pentyl acetate 209.7
    transcutol 430.22
    n-heptanol 159.46
    ethylbenzene 187.51
    MIBK 263.5
    2-propoxyethanol 406.02
    tert-butanol 313.83
    MTBE 353.81
    2-butoxyethanol 228.97
    propionic acid 299.56
    o-xylene 207.07
    formic acid 109.64
    diethyl ether 432.42
    m-xylene 243.72
    p-xylene 218.6
    chlorobenzene 417.36
    dimethyl carbonate 194.45
    n-octane 25.35
    formamide 139.96
    cyclopentanone 954.75
    2-pentanone 439.3
    anisole 306.38
    cyclopentyl methyl ether 573.06
    gamma-butyrolactone 937.77
    1-methoxy-2-propanol 399.42
    pyridine 560.92
    3-pentanone 371.41
    furfural 709.87
    n-dodecane 22.16
    diethylene glycol 318.64
    diisopropyl ether 125.32
    tert-amyl alcohol 296.63
    acetylacetone 425.46
    n-hexadecane 25.78
    acetophenone 272.79
    methyl propionate 388.74
    isopentyl acetate 243.82
    trichloroethylene 1325.44
    n-nonanol 143.17
    cyclohexanol 355.07
    benzyl alcohol 243.76
    2-ethylhexanol 174.96
    isooctanol 131.03
    dipropyl ether 175.83
    1,2-dichlorobenzene 370.29
    ethyl lactate 142.97
    propylene carbonate 504.18
    n-methylformamide 433.94
    2-pentanol 230.78
    n-pentane 58.36
    1-propoxy-2-propanol 242.32
    1-methoxy-2-propyl acetate 253.61
    2-(2-methoxypropoxy) propanol 172.35
    mesitylene 154.49
    ε-caprolactone 569.1
    p-cymene 108.62
    epichlorohydrin 1016.16
    1,1,1-trichloroethane 682.67
    2-aminoethanol 198.35
    morpholine-4-carbaldehyde 700.48
    sulfolane 1003.38
    2,2,4-trimethylpentane 37.03
    2-methyltetrahydrofuran 772.73
    n-hexyl acetate 315.05
    isooctane 29.9
    2-(2-butoxyethoxy)ethanol 236.03
    sec-butyl acetate 155.03
    tert-butyl acetate 243.54
    decalin 60.24
    glycerin 210.56
    diglyme 426.54
    acrylic acid 274.27
    isopropyl myristate 108.59
    n-butyric acid 364.2
    acetyl acetate 233.9
    di(2-ethylhexyl) phthalate 114.48
    ethyl propionate 221.12
    nitromethane 528.38
    1,2-diethoxyethane 226.12
    benzonitrile 357.86
    trioctyl phosphate 94.51
    1-bromopropane 482.53
    gamma-valerolactone 883.53
    n-decanol 105.5
    triethyl phosphate 103.39
    4-methyl-2-pentanol 137.15
    propionitrile 380.06
    vinylene carbonate 470.2
    1,1,2-trichlorotrifluoroethane 496.05
    DMS 248.34
    cumene 127.19
    2-octanol 130.13
    2-hexanone 264.14
    octyl acetate 147.85
    limonene 152.13
    1,2-dimethoxyethane 493.68
    ethyl orthosilicate 100.4
    tributyl phosphate 103.08
    diacetone alcohol 276.76
    N,N-dimethylaniline 205.52
    acrylonitrile 453.47
    aniline 297.48
    1,3-propanediol 283.79
    bromobenzene 476.91
    dibromomethane 897.01
    1,1,2,2-tetrachloroethane 967.49
    2-methyl-cyclohexyl acetate 163.06
    tetrabutyl urea 133.64
    diisobutyl methanol 100.5
    2-phenylethanol 244.71
    styrene 217.8
    dioctyl adipate 136.22
    dimethyl sulfate 328.65
    ethyl butyrate 179.53
    methyl lactate 202.96
    butyl lactate 148.0
    diethyl carbonate 125.21
    propanediol butyl ether 215.63
    triethyl orthoformate 121.39
    p-tert-butyltoluene 108.37
    methyl 4-tert-butylbenzoate 214.37
    morpholine 747.31
    tert-butylamine 203.75
    n-dodecanol 82.82
    dimethoxymethane 565.77
    ethylene carbonate 399.29
    cyrene 212.34
    2-ethoxyethyl acetate 244.72
    2-ethylhexyl acetate 198.64
    1,2,4-trichlorobenzene 415.74
    4-methylpyridine 625.02
    dibutyl ether 169.14
    2,6-dimethyl-4-heptanol 100.5
    DEF 500.82
    dimethyl isosorbide 309.64
    tetrachloroethylene 648.51
    eugenol 219.02
    triacetin 195.38
    span 80 163.72
    1,4-butanediol 143.74
    1,1-dichloroethane 725.06
    2-methyl-1-pentanol 214.62
    methyl formate 405.93
    2-methyl-1-butanol 285.64
    n-decane 36.74
    butyronitrile 406.47
    3,7-dimethyl-1-octanol 142.53
    1-chlorooctane 154.01
    1-chlorotetradecane 59.56
    n-nonane 38.03
    undecane 27.76
    tert-butylcyclohexane 56.58
    cyclooctane 32.43
    cyclopentanol 383.46
    tetrahydropyran 722.02
    tert-amyl methyl ether 298.09
    2,5,8-trioxanonane 263.9
    1-hexene 198.32
    2-isopropoxyethanol 204.67
    2,2,2-trifluoroethanol 135.42
    methyl butyrate 292.65

    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