2-Isopropylpyridine

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  • Identifiers

    CAS number
    644-98-4

    Molecular formula
    C8H11N

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 91.23%
    Earthy 67.35%
    Vegetable 51.33%
    Leafy 47.44%
    Herbal 45.48%
    Nutty 40.98%
    Woody 38.09%
    Cortex 36.64%
    Musty 33.46%
    Animal 32.8%

     

    Flavor
    Green 88.4%
    Herbal 53.57%
    Earthy 41.8%
    Pepper 40.6%
    Vegetable 36.0%
    Raw 31.55%
    Musty 29.48%
    Nutty 29.04%
    Leaf 27.44%
    Tropical 26.84%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    5.49 (weak acid)

    Molecular weight
    121.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    161°C

    Flash point

    • 44.77 ˚C est.

  • Synonyms

    • 2-Isopropylpyridine
    • 644-98-4
    • 2-Isopropyl pyridine
    • 2-propan-2-ylpyridine
    • Pyridine, 2-(1-methylethyl)-
    • 2-(2-Pyridyl)propane
    • 7IZ3XFD8G4
    • 2-isopropyl-pyridine
    • PYRIDINE, 2-ISOPROPYL-
    • EINECS 211-426-3
    • MFCD00047438
    • NSC-42615
    • 2-(propan-2-yl)pyridine
    • NSC 42615
    • 75981-47-4
    • isopropylpyridine
    • NSC42615
    • 2-(Isopropyl)pyridine
    • 2-(i-C3H7)-pyridine
    • UNII-7IZ3XFD8G4
    • 2-(1-Methylethyl)pyridine
    • SCHEMBL79529
    • DTXSID10862353
    • AKOS005166996
    • CS-W019396
    • PB21659
    • AS-33158
    • SY022766
    • DB-054674
    • NS00042185
    • EN300-79024
    • Z1198148831
    • 211-426-3

  • Applications

    2-Isopropylpyridine (CAS 644-98-4) is primarily used as a chemical intermediate and building block for pyridine-containing compounds, supporting the manufacture of pharmaceuticals and agrochemicals; it also serves as a building block for specialty chemicals in polymers and plastics to form pyridine-containing monomers or additives, and in coatings and inks as a source of pyridine-derived intermediates for paint and ink products; in addition, it may function as an intermediate in other industrial synthesis routes, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 804.55
    methanol 880.99
    isopropanol 527.34
    water 1.58
    ethyl acetate 788.62
    n-propanol 639.86
    acetone 1050.63
    n-butanol 640.13
    acetonitrile 820.98
    DMF 970.41
    toluene 534.88
    isobutanol 523.52
    1,4-dioxane 1385.88
    methyl acetate 759.26
    THF 1692.94
    2-butanone 974.98
    n-pentanol 514.31
    sec-butanol 540.19
    n-hexane 393.64
    ethylene glycol 113.43
    NMP 1213.64
    cyclohexane 287.69
    DMSO 1020.65
    n-butyl acetate 1419.85
    n-octanol 416.35
    chloroform 2818.08
    n-propyl acetate 678.79
    acetic acid 549.88
    dichloromethane 2784.06
    cyclohexanone 1390.75
    propylene glycol 156.93
    isopropyl acetate 482.06
    DMAc 723.75
    2-ethoxyethanol 488.63
    isopentanol 581.9
    n-heptane 265.94
    ethyl formate 593.3
    1,2-dichloroethane 1456.09
    n-hexanol 855.98
    2-methoxyethanol 718.02
    isobutyl acetate 515.93
    tetrachloromethane 731.14
    n-pentyl acetate 564.85
    transcutol 1470.57
    n-heptanol 397.29
    ethylbenzene 311.36
    MIBK 498.14
    2-propoxyethanol 883.82
    tert-butanol 622.29
    MTBE 846.68
    2-butoxyethanol 537.02
    propionic acid 524.57
    o-xylene 323.6
    formic acid 143.5
    diethyl ether 998.08
    m-xylene 348.26
    p-xylene 406.32
    chlorobenzene 864.54
    dimethyl carbonate 261.69
    n-octane 107.8
    formamide 173.92
    cyclopentanone 1473.99
    2-pentanone 783.01
    anisole 508.23
    cyclopentyl methyl ether 912.7
    gamma-butyrolactone 1496.64
    1-methoxy-2-propanol 514.84
    pyridine 1039.27
    3-pentanone 661.79
    furfural 1180.58
    n-dodecane 74.49
    diethylene glycol 432.62
    diisopropyl ether 315.08
    tert-amyl alcohol 601.23
    acetylacetone 675.77
    n-hexadecane 84.23
    acetophenone 475.1
    methyl propionate 583.37
    isopentyl acetate 974.37
    trichloroethylene 2374.44
    n-nonanol 341.8
    cyclohexanol 591.99
    benzyl alcohol 357.06
    2-ethylhexanol 584.83
    isooctanol 319.82
    dipropyl ether 784.47
    1,2-dichlorobenzene 747.26
    ethyl lactate 229.94
    propylene carbonate 911.89
    n-methylformamide 496.64
    2-pentanol 456.77
    n-pentane 247.54
    1-propoxy-2-propanol 702.62
    1-methoxy-2-propyl acetate 630.64
    2-(2-methoxypropoxy) propanol 386.89
    mesitylene 249.49
    ε-caprolactone 1101.27
    p-cymene 269.69
    epichlorohydrin 1638.59
    1,1,1-trichloroethane 1571.06
    2-aminoethanol 248.25
    morpholine-4-carbaldehyde 1030.67
    sulfolane 1650.84
    2,2,4-trimethylpentane 134.85
    2-methyltetrahydrofuran 1432.79
    n-hexyl acetate 755.83
    isooctane 105.83
    2-(2-butoxyethoxy)ethanol 538.34
    sec-butyl acetate 445.47
    tert-butyl acetate 526.13
    decalin 169.28
    glycerin 200.41
    diglyme 985.26
    acrylic acid 411.34
    isopropyl myristate 299.26
    n-butyric acid 821.49
    acetyl acetate 420.02
    di(2-ethylhexyl) phthalate 232.83
    ethyl propionate 511.47
    nitromethane 814.34
    1,2-diethoxyethane 876.98
    benzonitrile 695.39
    trioctyl phosphate 200.21
    1-bromopropane 1104.69
    gamma-valerolactone 1439.81
    n-decanol 254.36
    triethyl phosphate 244.8
    4-methyl-2-pentanol 277.01
    propionitrile 746.37
    vinylene carbonate 790.67
    1,1,2-trichlorotrifluoroethane 784.23
    DMS 424.1
    cumene 241.23
    2-octanol 295.24
    2-hexanone 752.36
    octyl acetate 363.89
    limonene 416.72
    1,2-dimethoxyethane 1023.43
    ethyl orthosilicate 254.98
    tributyl phosphate 259.52
    diacetone alcohol 463.24
    N,N-dimethylaniline 356.14
    acrylonitrile 759.73
    aniline 501.44
    1,3-propanediol 393.4
    bromobenzene 1029.91
    dibromomethane 1960.68
    1,1,2,2-tetrachloroethane 1807.43
    2-methyl-cyclohexyl acetate 461.59
    tetrabutyl urea 311.77
    diisobutyl methanol 281.16
    2-phenylethanol 459.15
    styrene 405.19
    dioctyl adipate 333.82
    dimethyl sulfate 402.22
    ethyl butyrate 732.91
    methyl lactate 249.21
    butyl lactate 366.8
    diethyl carbonate 402.77
    propanediol butyl ether 419.62
    triethyl orthoformate 418.83
    p-tert-butyltoluene 253.19
    methyl 4-tert-butylbenzoate 391.38
    morpholine 1245.61
    tert-butylamine 495.06
    n-dodecanol 200.5
    dimethoxymethane 656.57
    ethylene carbonate 710.7
    cyrene 348.84
    2-ethoxyethyl acetate 581.9
    2-ethylhexyl acetate 820.46
    1,2,4-trichlorobenzene 782.39
    4-methylpyridine 1106.43
    dibutyl ether 672.13
    2,6-dimethyl-4-heptanol 281.16
    DEF 859.11
    dimethyl isosorbide 671.12
    tetrachloroethylene 1271.15
    eugenol 375.38
    triacetin 427.4
    span 80 382.72
    1,4-butanediol 193.55
    1,1-dichloroethane 1587.58
    2-methyl-1-pentanol 502.78
    methyl formate 441.98
    2-methyl-1-butanol 582.74
    n-decane 122.59
    butyronitrile 901.9
    3,7-dimethyl-1-octanol 376.66
    1-chlorooctane 433.07
    1-chlorotetradecane 168.43
    n-nonane 141.01
    undecane 91.83
    tert-butylcyclohexane 177.35
    cyclooctane 122.99
    cyclopentanol 630.27
    tetrahydropyran 1365.69
    tert-amyl methyl ether 626.51
    2,5,8-trioxanonane 587.1
    1-hexene 781.49
    2-isopropoxyethanol 393.03
    2,2,2-trifluoroethanol 189.34
    methyl butyrate 776.77

    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