2-Isobutylpyridine

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  • Identifiers

    CAS number
    6304-24-1

    Molecular formula
    C9H13N

    SMILES
    CC(C)CC1=CC=CC=N1

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Green 74.55%
    Earthy 53.52%
    Animal 44.25%
    Herbal 40.85%
    Vegetable 39.2%
    Nutty 35.79%
    Woody 34.45%
    Fishy 34.32%
    Leafy 33.52%
    Metallic 33.46%

     

    Flavor
    Green 87.26%
    Herbal 47.26%
    Earthy 40.13%
    Pepper 37.82%
    Vegetable 37.32%
    Leaf 32.3%
    Metallic 31.38%
    Roasted 26.84%
    Raw 26.72%
    Pea 26.58%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.17 (neutral)

    Molecular weight
    135.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 110.00 to 111.00 °C. @ 55.00 mm Hg

    Flash point

    • 56.7 ˚C est.

    Solubility expt.

    • Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-ISOBUTYLPYRIDINE
    • 6304-24-1
    • 2-(2-Methylpropyl)pyridine
    • 2-isobutyl pyridine
    • Pyridine, 2-(2-methylpropyl)-
    • Pyridine, 2-isobutyl-
    • UNII-GS3K23H1Q8
    • FEMA No. 3370
    • GS3K23H1Q8
    • EINECS 228-606-2
    • NSC-42623
    • DTXSID80212326
    • NSC 42623
    • 2-(2-METHYLPROPYL)PYRIDINE [FHFI]
    • 2-Isobutyl-pyridin
    • NSC42623
    • 2-Isobutyl-Pyridine
    • MFCD02262142
    • 2-(2-Methylpropyl)-Pyridine
    • SCHEMBL104860
    • 2-Isobutylpyridine, AldrichCPR
    • FEMA 3370
    • DTXCID80134817
    • CHEBI:173364
    • AKOS006229165
    • SB53859
    • AS-57073
    • DB-054388
    • CS-0230725
    • NS00022587
    • EN300-105361
    • Q27279250
    • Z1201621742
    • 228-606-2

  • Applications

    2-Isobutylpyridine (CAS 6304-24-1) is primarily used as an intermediate in the synthesis of pyridine-based specialty chemicals, including pharmaceutical and agrochemical programs; it may also function as an odor-active ingredient or fragrance intermediate in perfumery, where the isobutyl substituent can contribute herbaceous notes. Additionally, it serves as a building block for other heterocyclic compounds and may be explored for applications in polymer chemistry and dyes in industrial manufacturing. In research and development contexts, it can be used as a ligand or starting material for catalytic and materials science developments, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 321.75
    methanol 241.36
    isopropanol 299.1
    water 0.45
    ethyl acetate 255.98
    n-propanol 307.59
    acetone 459.58
    n-butanol 321.75
    acetonitrile 328.41
    DMF 498.3
    toluene 253.03
    isobutanol 279.77
    1,4-dioxane 509.37
    methyl acetate 238.35
    THF 871.9
    2-butanone 331.0
    n-pentanol 219.17
    sec-butanol 278.55
    n-hexane 205.34
    ethylene glycol 67.43
    NMP 497.12
    cyclohexane 307.08
    DMSO 522.68
    n-butyl acetate 550.87
    n-octanol 233.46
    chloroform 1276.45
    n-propyl acetate 198.87
    acetic acid 329.94
    dichloromethane 1017.33
    cyclohexanone 719.74
    propylene glycol 141.08
    isopropyl acetate 166.14
    DMAc 294.03
    2-ethoxyethanol 159.49
    isopentanol 289.51
    n-heptane 304.71
    ethyl formate 222.49
    1,2-dichloroethane 516.93
    n-hexanol 676.01
    2-methoxyethanol 275.09
    isobutyl acetate 161.7
    tetrachloromethane 240.1
    n-pentyl acetate 195.67
    transcutol 567.76
    n-heptanol 220.73
    ethylbenzene 148.11
    MIBK 210.0
    2-propoxyethanol 479.52
    tert-butanol 364.71
    MTBE 292.62
    2-butoxyethanol 224.59
    propionic acid 281.53
    o-xylene 170.48
    formic acid 54.74
    diethyl ether 278.93
    m-xylene 184.15
    p-xylene 191.15
    chlorobenzene 370.51
    dimethyl carbonate 108.77
    n-octane 75.52
    formamide 63.13
    cyclopentanone 726.84
    2-pentanone 310.34
    anisole 191.79
    cyclopentyl methyl ether 443.76
    gamma-butyrolactone 669.2
    1-methoxy-2-propanol 250.26
    pyridine 482.97
    3-pentanone 249.84
    furfural 514.05
    n-dodecane 58.51
    diethylene glycol 235.82
    diisopropyl ether 125.14
    tert-amyl alcohol 273.66
    acetylacetone 283.01
    n-hexadecane 64.73
    acetophenone 190.71
    methyl propionate 228.12
    isopentyl acetate 427.36
    trichloroethylene 931.26
    n-nonanol 191.47
    cyclohexanol 414.13
    benzyl alcohol 166.77
    2-ethylhexanol 436.79
    isooctanol 163.6
    dipropyl ether 452.53
    1,2-dichlorobenzene 340.9
    ethyl lactate 115.38
    propylene carbonate 459.24
    n-methylformamide 187.29
    2-pentanol 236.1
    n-pentane 159.35
    1-propoxy-2-propanol 435.59
    1-methoxy-2-propyl acetate 315.26
    2-(2-methoxypropoxy) propanol 235.28
    mesitylene 131.23
    ε-caprolactone 481.73
    p-cymene 185.77
    epichlorohydrin 538.48
    1,1,1-trichloroethane 570.63
    2-aminoethanol 141.25
    morpholine-4-carbaldehyde 421.6
    sulfolane 815.87
    2,2,4-trimethylpentane 72.48
    2-methyltetrahydrofuran 611.22
    n-hexyl acetate 314.89
    isooctane 59.6
    2-(2-butoxyethoxy)ethanol 285.35
    sec-butyl acetate 126.73
    tert-butyl acetate 199.22
    decalin 108.36
    glycerin 148.87
    diglyme 447.64
    acrylic acid 232.67
    isopropyl myristate 155.34
    n-butyric acid 425.11
    acetyl acetate 169.33
    di(2-ethylhexyl) phthalate 155.19
    ethyl propionate 164.74
    nitromethane 365.04
    1,2-diethoxyethane 293.61
    benzonitrile 324.54
    trioctyl phosphate 128.93
    1-bromopropane 443.05
    gamma-valerolactone 605.51
    n-decanol 157.25
    triethyl phosphate 137.77
    4-methyl-2-pentanol 147.87
    propionitrile 298.85
    vinylene carbonate 376.95
    1,1,2-trichlorotrifluoroethane 415.72
    DMS 201.0
    cumene 117.66
    2-octanol 150.27
    2-hexanone 248.29
    octyl acetate 207.16
    limonene 328.01
    1,2-dimethoxyethane 329.38
    ethyl orthosilicate 134.09
    tributyl phosphate 149.76
    diacetone alcohol 236.73
    N,N-dimethylaniline 161.13
    acrylonitrile 299.48
    aniline 241.42
    1,3-propanediol 185.31
    bromobenzene 425.05
    dibromomethane 798.53
    1,1,2,2-tetrachloroethane 813.64
    2-methyl-cyclohexyl acetate 264.7
    tetrabutyl urea 195.26
    diisobutyl methanol 202.94
    2-phenylethanol 266.5
    styrene 175.43
    dioctyl adipate 218.2
    dimethyl sulfate 173.72
    ethyl butyrate 302.11
    methyl lactate 138.47
    butyl lactate 183.75
    diethyl carbonate 187.25
    propanediol butyl ether 242.42
    triethyl orthoformate 213.49
    p-tert-butyltoluene 177.28
    methyl 4-tert-butylbenzoate 225.82
    morpholine 518.22
    tert-butylamine 292.72
    n-dodecanol 134.38
    dimethoxymethane 263.05
    ethylene carbonate 327.19
    cyrene 199.43
    2-ethoxyethyl acetate 205.12
    2-ethylhexyl acetate 360.16
    1,2,4-trichlorobenzene 362.7
    4-methylpyridine 434.36
    dibutyl ether 299.46
    2,6-dimethyl-4-heptanol 202.94
    DEF 289.6
    dimethyl isosorbide 407.33
    tetrachloroethylene 501.0
    eugenol 203.19
    triacetin 240.23
    span 80 290.31
    1,4-butanediol 93.1
    1,1-dichloroethane 564.36
    2-methyl-1-pentanol 201.83
    methyl formate 178.14
    2-methyl-1-butanol 270.76
    n-decane 86.79
    butyronitrile 379.13
    3,7-dimethyl-1-octanol 220.57
    1-chlorooctane 221.6
    1-chlorotetradecane 105.96
    n-nonane 99.4
    undecane 68.85
    tert-butylcyclohexane 101.47
    cyclooctane 112.43
    cyclopentanol 413.63
    tetrahydropyran 645.35
    tert-amyl methyl ether 227.05
    2,5,8-trioxanonane 350.77
    1-hexene 345.13
    2-isopropoxyethanol 139.45
    2,2,2-trifluoroethanol 93.92
    methyl butyrate 239.98

    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