4-Isopropylpyridine

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  • Identifiers

    CAS number
    696-30-0

    Molecular formula
    C8H11N

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 91.55%
    Earthy 68.6%
    Herbal 63.34%
    Sweet 53.09%
    Leafy 44.55%
    Vegetable 41.13%
    Woody 40.65%
    Nutty 37.34%
    Cortex 36.54%
    Animal 34.52%

     

    Flavor
    Green 75.51%
    Herbal 60.32%
    Woody 44.55%
    Pepper 37.61%
    Spice 33.88%
    Spicy 33.43%
    Earthy 32.63%
    Musty 31.04%
    Wood 29.11%
    Citrus 28.67%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    5.93 (weak acid)

    Molecular weight
    121.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    180°C

    Flash point

    • 62.92 ˚C est.

  • Synonyms

    • 4-Isopropylpyridine
    • 696-30-0
    • Pyridine, 4-(1-methylethyl)-
    • 4-propan-2-ylpyridine
    • 4-(1-Methylethyl)pyridine
    • Pyridine, 4-isopropyl-
    • 4-iso-Propylpyridine
    • 4-Isopropyl-pyridine
    • MFCD00039719
    • NC9488R41O
    • EINECS 211-794-5
    • UNII-NC9488R41O
    • DTXSID7061013
    • 4-(i-C3H7)-C5H4N
    • 4isoPropylpyridine
    • 4(1Methylethyl)pyridine
    • 4-(propan-2-yl)pyridine
    • Pyridine, 4(1methylethyl)
    • 4-(1-methylethyl)-pyridine
    • SCHEMBL33167
    • DTXCID3046530
    • ethyl, 1-methyl-1-(4-pyridinyl)-
    • AKOS005257679
    • CS-W011201
    • FS-4760
    • SY050693
    • DB-002572
    • I0174
    • NS00022701
    • EN300-85535
    • T72840
    • Q63392879
    • 211-794-5

  • Applications

    4-Isopropylpyridine is primarily used as a chemical intermediate and building block in the synthesis of pyridine-containing compounds. In pharmaceutical development, it is often employed as a starting material or precursor for heterocyclic drug candidates and related intermediates. In agrochemical manufacture, it serves as a precursor for pyridine-based agrochemicals and their intermediates. In catalysis and industrial manufacturing, it can function as a ligand or base in homogeneous catalytic processes and as a precursor for specialty pyridine-containing monomers and additives used in coatings, inks, and polymers. In perfumery and fragrance applications, it may be used as a fragrance intermediate or precursor for scent compounds. Its use may be subject to local regulations and formulation limits. CAS 696-30-0.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 428.36
    methanol 416.31
    isopropanol 210.4
    water 0.8
    ethyl acetate 505.68
    n-propanol 351.75
    acetone 382.35
    n-butanol 302.55
    acetonitrile 354.88
    DMF 545.5
    toluene 285.1
    isobutanol 194.05
    1,4-dioxane 808.12
    methyl acetate 417.26
    THF 651.57
    2-butanone 374.0
    n-pentanol 160.23
    sec-butanol 167.82
    n-hexane 27.62
    ethylene glycol 78.0
    NMP 434.32
    cyclohexane 58.66
    DMSO 427.15
    n-butyl acetate 475.29
    n-octanol 65.14
    chloroform 1112.63
    n-propyl acetate 184.02
    acetic acid 270.68
    dichloromethane 997.57
    cyclohexanone 524.09
    propylene glycol 86.5
    isopropyl acetate 164.3
    DMAc 318.26
    2-ethoxyethanol 202.97
    isopentanol 179.19
    n-heptane 41.33
    ethyl formate 299.87
    1,2-dichloroethane 662.32
    n-hexanol 364.9
    2-methoxyethanol 447.7
    isobutyl acetate 103.92
    tetrachloromethane 219.8
    n-pentyl acetate 124.8
    transcutol 703.19
    n-heptanol 92.96
    ethylbenzene 78.45
    MIBK 110.74
    2-propoxyethanol 476.6
    tert-butanol 197.57
    MTBE 214.11
    2-butoxyethanol 162.9
    propionic acid 279.51
    o-xylene 125.29
    formic acid 100.29
    diethyl ether 394.39
    m-xylene 142.37
    p-xylene 97.54
    chlorobenzene 391.57
    dimethyl carbonate 105.2
    n-octane 11.15
    formamide 135.99
    cyclopentanone 536.0
    2-pentanone 256.59
    anisole 157.16
    cyclopentyl methyl ether 313.18
    gamma-butyrolactone 643.9
    1-methoxy-2-propanol 250.93
    pyridine 645.62
    3-pentanone 240.93
    furfural 510.75
    n-dodecane 8.01
    diethylene glycol 262.94
    diisopropyl ether 63.34
    tert-amyl alcohol 146.9
    acetylacetone 229.28
    n-hexadecane 9.4
    acetophenone 128.48
    methyl propionate 332.44
    isopentyl acetate 284.34
    trichloroethylene 1051.27
    n-nonanol 59.86
    cyclohexanol 197.14
    benzyl alcohol 130.47
    2-ethylhexanol 171.78
    isooctanol 66.47
    dipropyl ether 243.06
    1,2-dichlorobenzene 270.89
    ethyl lactate 64.22
    propylene carbonate 310.48
    n-methylformamide 323.95
    2-pentanol 134.48
    n-pentane 31.58
    1-propoxy-2-propanol 293.62
    1-methoxy-2-propyl acetate 281.55
    2-(2-methoxypropoxy) propanol 122.05
    mesitylene 71.36
    ε-caprolactone 434.92
    p-cymene 69.15
    epichlorohydrin 669.56
    1,1,1-trichloroethane 565.13
    2-aminoethanol 155.46
    morpholine-4-carbaldehyde 502.03
    sulfolane 523.33
    2,2,4-trimethylpentane 16.56
    2-methyltetrahydrofuran 516.47
    n-hexyl acetate 144.36
    isooctane 11.74
    2-(2-butoxyethoxy)ethanol 186.13
    sec-butyl acetate 97.13
    tert-butyl acetate 146.05
    decalin 23.94
    glycerin 107.05
    diglyme 372.0
    acrylic acid 215.89
    isopropyl myristate 52.33
    n-butyric acid 399.01
    acetyl acetate 195.98
    di(2-ethylhexyl) phthalate 58.54
    ethyl propionate 158.86
    nitromethane 460.12
    1,2-diethoxyethane 346.2
    benzonitrile 227.65
    trioctyl phosphate 41.14
    1-bromopropane 381.18
    gamma-valerolactone 700.44
    n-decanol 45.75
    triethyl phosphate 72.72
    4-methyl-2-pentanol 64.83
    propionitrile 344.81
    vinylene carbonate 323.03
    1,1,2-trichlorotrifluoroethane 360.46
    DMS 134.25
    cumene 48.59
    2-octanol 48.34
    2-hexanone 158.89
    octyl acetate 71.51
    limonene 113.75
    1,2-dimethoxyethane 334.17
    ethyl orthosilicate 77.69
    tributyl phosphate 55.93
    diacetone alcohol 144.28
    N,N-dimethylaniline 87.53
    acrylonitrile 355.25
    aniline 298.71
    1,3-propanediol 225.03
    bromobenzene 421.67
    dibromomethane 670.75
    1,1,2,2-tetrachloroethane 719.85
    2-methyl-cyclohexyl acetate 124.7
    tetrabutyl urea 68.79
    diisobutyl methanol 73.93
    2-phenylethanol 198.9
    styrene 120.18
    dioctyl adipate 72.94
    dimethyl sulfate 146.72
    ethyl butyrate 225.19
    methyl lactate 103.1
    butyl lactate 87.07
    diethyl carbonate 130.51
    propanediol butyl ether 93.51
    triethyl orthoformate 137.45
    p-tert-butyltoluene 67.94
    methyl 4-tert-butylbenzoate 103.03
    morpholine 813.25
    tert-butylamine 133.05
    n-dodecanol 35.92
    dimethoxymethane 331.09
    ethylene carbonate 287.97
    cyrene 104.81
    2-ethoxyethyl acetate 202.34
    2-ethylhexyl acetate 241.98
    1,2,4-trichlorobenzene 314.61
    4-methylpyridine 530.7
    dibutyl ether 105.08
    2,6-dimethyl-4-heptanol 73.93
    DEF 332.76
    dimethyl isosorbide 234.87
    tetrachloroethylene 541.69
    eugenol 110.06
    triacetin 110.97
    span 80 107.99
    1,4-butanediol 69.62
    1,1-dichloroethane 638.1
    2-methyl-1-pentanol 119.65
    methyl formate 231.9
    2-methyl-1-butanol 174.3
    n-decane 13.0
    butyronitrile 325.75
    3,7-dimethyl-1-octanol 73.9
    1-chlorooctane 60.56
    1-chlorotetradecane 24.02
    n-nonane 13.09
    undecane 9.95
    tert-butylcyclohexane 21.71
    cyclooctane 18.74
    cyclopentanol 206.76
    tetrahydropyran 670.95
    tert-amyl methyl ether 144.54
    2,5,8-trioxanonane 225.09
    1-hexene 112.53
    2-isopropoxyethanol 126.43
    2,2,2-trifluoroethanol 91.01
    methyl butyrate 208.25

    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