3-Isobutyl pyridine

Overview IFRA Request a quote

  • Identifiers

    CAS number
    14159-61-6

    Molecular formula
    C9H13N

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

  • Odor profile

    Fragrance
    Green 87.97%
    Earthy 69.2%
    Woody 44.67%
    Animal 40.01%
    Leafy 37.55%
    Nutty 36.78%
    Leathery 34.32%
    Vegetable 34.29%
    Herbal 33.48%
    Metallic 29.71%

     

    Flavor
    Green 34.95%
    Herbal 34.23%
    Woody 32.0%
    Spice 28.48%
    Musty 25.86%
    Earthy 24.81%
    Pepper 24.48%
    Spicy 23.4%
    Leather 21.46%
    Wood 21.2%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    5.57 (weak acid)

    Molecular weight
    135.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 68.00 to 69.00 °C. @ 8.00 mm Hg

    Flash point

    • 63.47 ˚C est.

    Solubility expt.

    • Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 3-Isobutylpyridine
    • 14159-61-6
    • 3-(2-Methylpropyl)pyridine
    • Pyridine, 3-(2-methylpropyl)-
    • 3-isobutyl pyridine
    • beta-Isobutylpyridine
    • .beta.-Isobutylpyridine
    • Pyridine, 3-isobutyl-
    • FEMA No. 3371
    • 3-isobutyl-pyridine
    • EINECS 238-003-6
    • 7V72L3X354
    • DTXSID1065716
    • 3-(2-METHYLPROPYL)PYRIDINE [FHFI]
    • UNII-7V72L3X354
    • 3-Isobutylpyridin
    • beta -isobutylpyridine
    • 3-Isobutylpyridine, 8CI
    • 3-(2-Methylpropyl)-Pyridine
    • SCHEMBL103883
    • DTXCID7034595
    • SCHEMBL22350952
    • FEMA 3371
    • CHEBI:173363
    • MFCD02683082
    • AKOS025394360
    • AS-80344
    • DB-028528
    • NS00021646
    • Q27268894
    • 238-003-6

  • Applications

    3-Isobutylpyridine (CAS 14159-61-6) is an organic pyridine derivative used primarily as an intermediate for the synthesis of pyridine-containing compounds, including pharmaceutical and agrochemical candidates; it is commonly employed as an intermediate in the production of active ingredients and crop-protection chemicals, and also serves as a precursor for ligands in metal-catalyzed processes used in industrial manufacturing; the compound can be a building block for pyridine-functional polymers and specialty materials in polymer science; in research and development, it is used as a starting point for further functionalization to access diverse derivatives, and depending on formulation and regulatory considerations, it may be evaluated for fragrance or flavor research as an odor-active pyridine derivative.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 375.87
    methanol 337.17
    isopropanol 254.93
    water 0.41
    ethyl acetate 208.26
    n-propanol 293.74
    acetone 303.91
    n-butanol 325.14
    acetonitrile 207.52
    DMF 446.56
    toluene 221.25
    isobutanol 227.58
    1,4-dioxane 421.46
    methyl acetate 187.68
    THF 621.91
    2-butanone 264.48
    n-pentanol 213.91
    sec-butanol 210.28
    n-hexane 80.5
    ethylene glycol 81.85
    NMP 340.38
    cyclohexane 121.32
    DMSO 378.89
    n-butyl acetate 486.97
    n-octanol 136.91
    chloroform 838.84
    n-propyl acetate 157.83
    acetic acid 266.55
    dichloromethane 732.86
    cyclohexanone 477.61
    propylene glycol 123.82
    isopropyl acetate 131.4
    DMAc 244.78
    2-ethoxyethanol 178.58
    isopentanol 257.3
    n-heptane 166.8
    ethyl formate 203.2
    1,2-dichloroethane 396.26
    n-hexanol 647.33
    2-methoxyethanol 325.79
    isobutyl acetate 125.2
    tetrachloromethane 161.01
    n-pentyl acetate 139.43
    transcutol 516.0
    n-heptanol 167.33
    ethylbenzene 106.74
    MIBK 144.54
    2-propoxyethanol 542.65
    tert-butanol 270.22
    MTBE 219.16
    2-butoxyethanol 207.22
    propionic acid 207.52
    o-xylene 123.35
    formic acid 66.01
    diethyl ether 232.76
    m-xylene 145.94
    p-xylene 128.89
    chlorobenzene 270.06
    dimethyl carbonate 74.51
    n-octane 34.76
    formamide 73.56
    cyclopentanone 450.65
    2-pentanone 256.87
    anisole 158.41
    cyclopentyl methyl ether 312.23
    gamma-butyrolactone 424.95
    1-methoxy-2-propanol 247.48
    pyridine 406.28
    3-pentanone 174.17
    furfural 423.73
    n-dodecane 25.36
    diethylene glycol 281.4
    diisopropyl ether 76.94
    tert-amyl alcohol 200.0
    acetylacetone 200.89
    n-hexadecane 28.04
    acetophenone 146.85
    methyl propionate 169.47
    isopentyl acetate 367.1
    trichloroethylene 713.74
    n-nonanol 118.29
    cyclohexanol 278.32
    benzyl alcohol 149.52
    2-ethylhexanol 359.83
    isooctanol 117.39
    dipropyl ether 362.64
    1,2-dichlorobenzene 222.75
    ethyl lactate 87.75
    propylene carbonate 306.47
    n-methylformamide 200.49
    2-pentanol 190.48
    n-pentane 77.61
    1-propoxy-2-propanol 426.57
    1-methoxy-2-propyl acetate 282.04
    2-(2-methoxypropoxy) propanol 179.5
    mesitylene 91.07
    ε-caprolactone 336.87
    p-cymene 146.24
    epichlorohydrin 456.82
    1,1,1-trichloroethane 381.46
    2-aminoethanol 163.06
    morpholine-4-carbaldehyde 389.64
    sulfolane 456.44
    2,2,4-trimethylpentane 40.11
    2-methyltetrahydrofuran 455.94
    n-hexyl acetate 190.38
    isooctane 32.29
    2-(2-butoxyethoxy)ethanol 233.33
    sec-butyl acetate 101.27
    tert-butyl acetate 141.84
    decalin 54.35
    glycerin 140.73
    diglyme 374.29
    acrylic acid 170.64
    isopropyl myristate 86.81
    n-butyric acid 345.1
    acetyl acetate 118.28
    di(2-ethylhexyl) phthalate 103.22
    ethyl propionate 123.58
    nitromethane 284.33
    1,2-diethoxyethane 258.23
    benzonitrile 247.25
    trioctyl phosphate 79.38
    1-bromopropane 336.66
    gamma-valerolactone 513.51
    n-decanol 95.1
    triethyl phosphate 100.26
    4-methyl-2-pentanol 112.58
    propionitrile 222.0
    vinylene carbonate 268.29
    1,1,2-trichlorotrifluoroethane 336.72
    DMS 124.42
    cumene 80.49
    2-octanol 90.1
    2-hexanone 194.37
    octyl acetate 117.9
    limonene 239.53
    1,2-dimethoxyethane 313.66
    ethyl orthosilicate 102.82
    tributyl phosphate 91.63
    diacetone alcohol 173.94
    N,N-dimethylaniline 117.54
    acrylonitrile 235.33
    aniline 202.42
    1,3-propanediol 212.85
    bromobenzene 298.26
    dibromomethane 540.36
    1,1,2,2-tetrachloroethane 551.15
    2-methyl-cyclohexyl acetate 195.46
    tetrabutyl urea 119.75
    diisobutyl methanol 155.5
    2-phenylethanol 239.03
    styrene 130.64
    dioctyl adipate 128.13
    dimethyl sulfate 107.91
    ethyl butyrate 250.42
    methyl lactate 100.86
    butyl lactate 128.79
    diethyl carbonate 148.19
    propanediol butyl ether 180.02
    triethyl orthoformate 168.88
    p-tert-butyltoluene 136.58
    methyl 4-tert-butylbenzoate 145.63
    morpholine 484.81
    tert-butylamine 205.43
    n-dodecanol 78.51
    dimethoxymethane 259.02
    ethylene carbonate 226.54
    cyrene 150.04
    2-ethoxyethyl acetate 165.91
    2-ethylhexyl acetate 307.75
    1,2,4-trichlorobenzene 247.63
    4-methylpyridine 372.72
    dibutyl ether 174.29
    2,6-dimethyl-4-heptanol 155.5
    DEF 246.13
    dimethyl isosorbide 296.64
    tetrachloroethylene 364.36
    eugenol 149.89
    triacetin 146.44
    span 80 194.34
    1,4-butanediol 96.38
    1,1-dichloroethane 415.71
    2-methyl-1-pentanol 177.77
    methyl formate 166.17
    2-methyl-1-butanol 228.87
    n-decane 38.85
    butyronitrile 318.64
    3,7-dimethyl-1-octanol 141.54
    1-chlorooctane 121.45
    1-chlorotetradecane 54.89
    n-nonane 40.64
    undecane 30.48
    tert-butylcyclohexane 52.79
    cyclooctane 50.4
    cyclopentanol 257.91
    tetrahydropyran 494.04
    tert-amyl methyl ether 165.18
    2,5,8-trioxanonane 269.54
    1-hexene 201.47
    2-isopropoxyethanol 139.37
    2,2,2-trifluoroethanol 67.8
    methyl butyrate 183.44

    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