4-Isobutylpyridine

Overview IFRA Request a quote

  • Identifiers

    CAS number
    4810-79-1

    Molecular formula
    C9H13N

    SMILES
    CC(C)CC1=CC=NC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 87.96%
    Earthy 61.43%
    Herbal 49.18%
    Animal 42.86%
    Leafy 39.57%
    Vegetable 37.53%
    Woody 37.11%
    Sweet 35.14%
    Metallic 34.85%
    Nutty 33.7%

     

    Flavor
    Green 74.44%
    Herbal 45.4%
    Earthy 32.75%
    Pepper 31.75%
    Spice 29.23%
    Vegetable 27.57%
    Leaf 27.04%
    Musty 26.71%
    Oily 25.88%
    Fresh 25.1%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    6.22 (neutral)

    Molecular weight
    135.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    194°C

    Flash point

    • 71.67 ˚C est.

  • Synonyms

    • 4-Isobutylpyridine
    • 4810-79-1
    • 4-(2-methylpropyl)pyridine
    • EINECS 225-376-5
    • DTXSID50964002
    • NSC 42624
    • RefChem:524283
    • DTXCID00949985
    • 225-376-5
    • 4-Isobutyl-pyridine
    • NSC42624
    • SCHEMBL104529
    • SCHEMBL4681053
    • SCHEMBL4690574
    • SCHEMBL6299957
    • SCHEMBL17103236
    • SCHEMBL17103555
    • NSC-42624
    • SBB085904
    • AKOS006280542
    • NS00047208
    • G68050
    • AO-801/41077396
    • 4810-79-1

  • Applications

    4-Isobutylpyridine (CAS 4810-79-1) is primarily used as a chemical intermediate in the synthesis of pharmaceutical and agrochemical compounds. It serves as a building block for pyridine-based ligands and catalysts used in metal-catalyzed industrial processes. The compound also appears in fragrance and flavor chemistry as an odor-active intermediate and may contribute to the synthesis of aroma-related materials. In polymer and coating applications, it provides a heteroaromatic scaffold that can be incorporated into pyridine-containing monomers or specialty additives. Like other intermediates, it is handled as a chemical intermediate and is used in R&D and manufacturing under local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 629.33
    methanol 390.27
    isopropanol 469.44
    water 0.41
    ethyl acetate 768.77
    n-propanol 569.29
    acetone 1233.96
    n-butanol 566.95
    acetonitrile 574.37
    DMF 920.55
    toluene 345.52
    isobutanol 469.82
    1,4-dioxane 898.62
    methyl acetate 703.39
    THF 1611.95
    2-butanone 859.65
    n-pentanol 286.4
    sec-butanol 403.01
    n-hexane 118.62
    ethylene glycol 117.39
    NMP 1042.21
    cyclohexane 164.67
    DMSO 1147.2
    n-butyl acetate 941.09
    n-octanol 203.29
    chloroform 1554.22
    n-propyl acetate 357.17
    acetic acid 551.13
    dichloromethane 1672.08
    cyclohexanone 1234.77
    propylene glycol 199.31
    isopropyl acetate 408.4
    DMAc 565.65
    2-ethoxyethanol 289.92
    isopentanol 461.98
    n-heptane 148.72
    ethyl formate 437.86
    1,2-dichloroethane 1107.23
    n-hexanol 836.24
    2-methoxyethanol 635.13
    isobutyl acetate 242.17
    tetrachloromethane 308.2
    n-pentyl acetate 292.84
    transcutol 1203.48
    n-heptanol 217.44
    ethylbenzene 143.37
    MIBK 398.91
    2-propoxyethanol 864.64
    tert-butanol 560.17
    MTBE 604.83
    2-butoxyethanol 328.65
    propionic acid 566.17
    o-xylene 204.19
    formic acid 104.54
    diethyl ether 620.34
    m-xylene 262.44
    p-xylene 183.59
    chlorobenzene 560.64
    dimethyl carbonate 236.97
    n-octane 39.59
    formamide 126.71
    cyclopentanone 1577.6
    2-pentanone 764.56
    anisole 260.07
    cyclopentyl methyl ether 879.77
    gamma-butyrolactone 1507.59
    1-methoxy-2-propanol 524.22
    pyridine 657.72
    3-pentanone 583.65
    furfural 835.3
    n-dodecane 30.25
    diethylene glycol 440.52
    diisopropyl ether 201.6
    tert-amyl alcohol 414.75
    acetylacetone 710.37
    n-hexadecane 34.86
    acetophenone 243.88
    methyl propionate 630.6
    isopentyl acetate 689.72
    trichloroethylene 1833.52
    n-nonanol 166.07
    cyclohexanol 514.71
    benzyl alcohol 200.58
    2-ethylhexanol 440.19
    isooctanol 160.63
    dipropyl ether 579.51
    1,2-dichlorobenzene 442.33
    ethyl lactate 151.44
    propylene carbonate 774.44
    n-methylformamide 401.39
    2-pentanol 355.2
    n-pentane 106.1
    1-propoxy-2-propanol 705.53
    1-methoxy-2-propyl acetate 669.9
    2-(2-methoxypropoxy) propanol 277.57
    mesitylene 161.73
    ε-caprolactone 881.64
    p-cymene 172.31
    epichlorohydrin 1385.39
    1,1,1-trichloroethane 1075.06
    2-aminoethanol 230.02
    morpholine-4-carbaldehyde 779.75
    sulfolane 1743.95
    2,2,4-trimethylpentane 68.19
    2-methyltetrahydrofuran 1293.35
    n-hexyl acetate 438.66
    isooctane 54.32
    2-(2-butoxyethoxy)ethanol 393.29
    sec-butyl acetate 218.53
    tert-butyl acetate 471.29
    decalin 73.51
    glycerin 214.22
    diglyme 684.51
    acrylic acid 415.47
    isopropyl myristate 172.07
    n-butyric acid 797.29
    acetyl acetate 387.58
    di(2-ethylhexyl) phthalate 155.89
    ethyl propionate 300.63
    nitromethane 855.16
    1,2-diethoxyethane 540.09
    benzonitrile 336.79
    trioctyl phosphate 138.07
    1-bromopropane 718.27
    gamma-valerolactone 1287.19
    n-decanol 130.82
    triethyl phosphate 159.03
    4-methyl-2-pentanol 206.04
    propionitrile 500.96
    vinylene carbonate 585.19
    1,1,2-trichlorotrifluoroethane 703.86
    DMS 321.0
    cumene 107.07
    2-octanol 132.07
    2-hexanone 397.98
    octyl acetate 225.21
    limonene 345.22
    1,2-dimethoxyethane 520.18
    ethyl orthosilicate 161.21
    tributyl phosphate 173.02
    diacetone alcohol 478.58
    N,N-dimethylaniline 173.41
    acrylonitrile 522.38
    aniline 360.51
    1,3-propanediol 346.57
    bromobenzene 626.23
    dibromomethane 1135.48
    1,1,2,2-tetrachloroethane 1312.57
    2-methyl-cyclohexyl acetate 326.21
    tetrabutyl urea 204.95
    diisobutyl methanol 225.03
    2-phenylethanol 321.22
    styrene 177.79
    dioctyl adipate 229.44
    dimethyl sulfate 391.34
    ethyl butyrate 439.95
    methyl lactate 227.58
    butyl lactate 227.99
    diethyl carbonate 246.59
    propanediol butyl ether 282.09
    triethyl orthoformate 281.33
    p-tert-butyltoluene 175.01
    methyl 4-tert-butylbenzoate 253.8
    morpholine 1033.52
    tert-butylamine 392.12
    n-dodecanol 108.11
    dimethoxymethane 650.39
    ethylene carbonate 538.16
    cyrene 255.05
    2-ethoxyethyl acetate 378.65
    2-ethylhexyl acetate 544.56
    1,2,4-trichlorobenzene 508.32
    4-methylpyridine 687.26
    dibutyl ether 330.09
    2,6-dimethyl-4-heptanol 225.03
    DEF 630.39
    dimethyl isosorbide 555.89
    tetrachloroethylene 803.06
    eugenol 232.59
    triacetin 302.8
    span 80 298.63
    1,4-butanediol 128.25
    1,1-dichloroethane 1108.33
    2-methyl-1-pentanol 249.78
    methyl formate 378.96
    2-methyl-1-butanol 433.37
    n-decane 48.58
    butyronitrile 577.49
    3,7-dimethyl-1-octanol 218.19
    1-chlorooctane 188.7
    1-chlorotetradecane 79.49
    n-nonane 52.15
    undecane 37.23
    tert-butylcyclohexane 75.86
    cyclooctane 65.83
    cyclopentanol 618.71
    tetrahydropyran 1112.56
    tert-amyl methyl ether 404.91
    2,5,8-trioxanonane 433.15
    1-hexene 310.39
    2-isopropoxyethanol 233.67
    2,2,2-trifluoroethanol 160.5
    methyl butyrate 400.47

    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