4-tert-Butylpyridine

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  • Identifiers

    CAS number
    3978-81-2

    Molecular formula
    C9H13N

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 84.25%
    Earthy 61.21%
    Woody 57.07%
    Herbal 46.55%
    Leafy 44.45%
    Leathery 41.89%
    Animal 40.52%
    Tobacco 38.06%
    Vetiver 33.29%
    Nutty 32.62%

     

    Flavor
    Green 53.96%
    Earthy 33.65%
    Woody 33.42%
    Herbal 32.42%
    Musty 31.05%
    Pepper 26.06%
    Camphor 24.41%
    Nutty 24.26%
    Leather 23.3%
    Earth 22.63%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    5.92 (weak acid)

    Molecular weight
    135.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    193°C

    Flash point

    • 70.41 ˚C est.

  • Synonyms

    • 4-tert-Butylpyridine
    • 3978-81-2
    • 4-(TERT-BUTYL)PYRIDINE
    • Pyridine, 4-(1,1-dimethylethyl)-
    • Pyridine, 4-tert-butyl-
    • p-tert-Butyl pyridine
    • 4-t-butylpyridine
    • 4-tert-Butyl-pyridine
    • UNII-IL8V02163I
    • 4-(t-Butyl)pyridine
    • IL8V02163I
    • NSC 5104
    • NSC-5104
    • EINECS 223-614-2
    • MFCD00006435
    • AI3-36657
    • DTXSID20192855
    • NSC5104
    • 4-tertbutylpyridine
    • 4-t-butyl pyridine
    • 4-tert.butylpyridine
    • Pyridine, 4tertbutyl
    • 4-tert-butyl pyridine
    • 4-tert- Butylpyridine
    • pyridine, 4-t-butyl-
    • Pyridine,1-dimethylethyl)-
    • SCHEMBL65312
    • 4-tert-Butylpyridine, 96%
    • Pyridine, 4tertbutyl (8CI)
    • Pyridine, 4(1,1dimethylethyl)
    • Pyridine, 4-tert-butyl-(8CI)
    • DTXCID60115346
    • CHEBI:195158
    • BCP27511
    • AKOS000120207
    • CS-W002002
    • FB11129
    • AS-10326
    • SY010877
    • DB-049483
    • B0388
    • NS00030667
    • EN300-20692
    • Q10846092
    • 223-614-2

  • Applications

    4-tert-Butylpyridine, CAS 3978-81-2, is used primarily as a non-nucleophilic base and acid scavenger in organic synthesis and polymerization, helping to suppress side reactions and control reaction conditions in acylations and related processes. It also serves as a ligand for transition-metal-catalyzed cross-coupling reactions, providing steric hindrance and coordinating ability that can influence activity and selectivity. It functions as an intermediate in the preparation of specialty chemicals and pharmaceutical intermediates, and may be used as an additive or processing aid in coatings, adhesives, and plastic formulations to influence cure kinetics and material stability. In electronics or materials contexts, it can be evaluated for use in polymer synthesis and as a processing modifier, depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 134.49
    methanol 152.82
    isopropanol 85.46
    water 1.18
    ethyl acetate 185.75
    n-propanol 126.29
    acetone 122.0
    n-butanol 115.39
    acetonitrile 113.86
    DMF 204.27
    toluene 127.95
    isobutanol 85.55
    1,4-dioxane 270.11
    methyl acetate 180.17
    THF 321.15
    2-butanone 153.64
    n-pentanol 69.88
    sec-butanol 82.79
    n-hexane 34.6
    ethylene glycol 41.59
    NMP 223.26
    cyclohexane 49.82
    DMSO 106.72
    n-butyl acetate 206.88
    n-octanol 67.62
    chloroform 436.29
    n-propyl acetate 79.39
    acetic acid 94.11
    dichloromethane 298.14
    cyclohexanone 209.91
    propylene glycol 52.91
    isopropyl acetate 94.05
    DMAc 210.2
    2-ethoxyethanol 92.24
    isopentanol 82.49
    n-heptane 56.66
    ethyl formate 100.51
    1,2-dichloroethane 180.03
    n-hexanol 243.15
    2-methoxyethanol 172.12
    isobutyl acetate 64.72
    tetrachloromethane 99.55
    n-pentyl acetate 80.29
    transcutol 318.49
    n-heptanol 84.4
    ethylbenzene 63.5
    MIBK 69.84
    2-propoxyethanol 274.77
    tert-butanol 106.82
    MTBE 125.03
    2-butoxyethanol 118.86
    propionic acid 113.45
    o-xylene 87.3
    formic acid 46.01
    diethyl ether 157.45
    m-xylene 89.55
    p-xylene 80.9
    chlorobenzene 156.86
    dimethyl carbonate 73.14
    n-octane 16.63
    formamide 48.53
    cyclopentanone 237.2
    2-pentanone 115.29
    anisole 110.52
    cyclopentyl methyl ether 177.51
    gamma-butyrolactone 261.83
    1-methoxy-2-propanol 139.23
    pyridine 195.78
    3-pentanone 124.0
    furfural 221.7
    n-dodecane 11.59
    diethylene glycol 156.56
    diisopropyl ether 52.89
    tert-amyl alcohol 93.54
    acetylacetone 116.56
    n-hexadecane 12.96
    acetophenone 94.67
    methyl propionate 161.28
    isopentyl acetate 163.32
    trichloroethylene 340.24
    n-nonanol 62.01
    cyclohexanol 105.14
    benzyl alcohol 76.77
    2-ethylhexanol 138.14
    isooctanol 58.78
    dipropyl ether 163.76
    1,2-dichlorobenzene 143.52
    ethyl lactate 54.04
    propylene carbonate 171.99
    n-methylformamide 103.97
    2-pentanol 72.56
    n-pentane 31.63
    1-propoxy-2-propanol 202.17
    1-methoxy-2-propyl acetate 193.01
    2-(2-methoxypropoxy) propanol 104.2
    mesitylene 59.28
    ε-caprolactone 194.71
    p-cymene 73.78
    epichlorohydrin 245.23
    1,1,1-trichloroethane 227.0
    2-aminoethanol 74.03
    morpholine-4-carbaldehyde 248.38
    sulfolane 228.98
    2,2,4-trimethylpentane 18.75
    2-methyltetrahydrofuran 244.99
    n-hexyl acetate 114.96
    isooctane 14.27
    2-(2-butoxyethoxy)ethanol 134.37
    sec-butyl acetate 63.63
    tert-butyl acetate 101.48
    decalin 26.62
    glycerin 65.34
    diglyme 228.5
    acrylic acid 93.6
    isopropyl myristate 52.54
    n-butyric acid 142.27
    acetyl acetate 108.57
    di(2-ethylhexyl) phthalate 53.85
    ethyl propionate 86.6
    nitromethane 130.46
    1,2-diethoxyethane 149.59
    benzonitrile 105.35
    trioctyl phosphate 42.21
    1-bromopropane 150.48
    gamma-valerolactone 279.71
    n-decanol 48.3
    triethyl phosphate 66.51
    4-methyl-2-pentanol 48.83
    propionitrile 135.63
    vinylene carbonate 161.61
    1,1,2-trichlorotrifluoroethane 174.45
    DMS 104.53
    cumene 51.15
    2-octanol 45.85
    2-hexanone 78.85
    octyl acetate 66.79
    limonene 103.26
    1,2-dimethoxyethane 144.91
    ethyl orthosilicate 68.25
    tributyl phosphate 50.65
    diacetone alcohol 100.37
    N,N-dimethylaniline 81.88
    acrylonitrile 132.76
    aniline 128.18
    1,3-propanediol 87.3
    bromobenzene 177.59
    dibromomethane 226.94
    1,1,2,2-tetrachloroethane 276.47
    2-methyl-cyclohexyl acetate 104.53
    tetrabutyl urea 64.4
    diisobutyl methanol 68.52
    2-phenylethanol 133.9
    styrene 72.46
    dioctyl adipate 63.51
    dimethyl sulfate 96.53
    ethyl butyrate 125.26
    methyl lactate 79.3
    butyl lactate 71.85
    diethyl carbonate 86.16
    propanediol butyl ether 79.55
    triethyl orthoformate 97.64
    p-tert-butyltoluene 76.19
    methyl 4-tert-butylbenzoate 103.39
    morpholine 270.61
    tert-butylamine 83.71
    n-dodecanol 39.5
    dimethoxymethane 142.06
    ethylene carbonate 141.71
    cyrene 91.33
    2-ethoxyethyl acetate 111.31
    2-ethylhexyl acetate 148.13
    1,2,4-trichlorobenzene 166.39
    4-methylpyridine 190.54
    dibutyl ether 81.42
    2,6-dimethyl-4-heptanol 68.52
    DEF 143.08
    dimethyl isosorbide 179.41
    tetrachloroethylene 196.71
    eugenol 99.38
    triacetin 94.58
    span 80 90.38
    1,4-butanediol 37.13
    1,1-dichloroethane 211.79
    2-methyl-1-pentanol 63.97
    methyl formate 89.25
    2-methyl-1-butanol 84.42
    n-decane 19.11
    butyronitrile 130.68
    3,7-dimethyl-1-octanol 69.4
    1-chlorooctane 62.44
    1-chlorotetradecane 27.81
    n-nonane 19.18
    undecane 14.45
    tert-butylcyclohexane 26.53
    cyclooctane 22.06
    cyclopentanol 103.35
    tetrahydropyran 247.01
    tert-amyl methyl ether 107.23
    2,5,8-trioxanonane 158.09
    1-hexene 79.67
    2-isopropoxyethanol 74.22
    2,2,2-trifluoroethanol 48.41
    methyl butyrate 95.27

    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