(4-tert-Butylphenyl)acetonitrile

Overview IFRA Request a quote

  • Identifiers

    CAS number
    3288-99-1

    Molecular formula
    C12H15N

    SMILES
    CC(C)(C)C1=CC=C(C=C1)CC#N

    Safety labels

  • Odor profile

    Fragrance
    Floral 54.05%
    Green 50.11%
    Citrus 40.14%
    Spicy 38.98%
    Fresh 33.05%
    Woody 32.71%
    Ozone 31.8%
    Dry 31.55%
    Herbal 30.73%
    Muguet 30.16%

     

    Flavor
    Woody 24.74%
    Spice 23.25%
    Mild 23.2%
    Creosote 20.29%
    Thymol 19.96%
    Medicinal 19.72%
    Styrene 19.39%
    Phenolic 19.02%
    Nitrile 18.91%
    Green pepper 18.91%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    6.75 (neutral)

    Molecular weight
    173.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    284°C

    Flash point

    • 119.49 ˚C est.

  • Synonyms

    • 3288-99-1
    • (4-tert-Butylphenyl)acetonitrile
    • p-tert-Butylbenzylcyanide
    • 4-tert-Butylbenzyl cyanide
    • Benzeneacetonitrile, 4-(1,1-dimethylethyl)-
    • Acetonitrile, (p-tert-butylphenyl)-
    • JJV56A2CNJ
    • p-tert-Butylbenzeneacetonitrile
    • (p-tert-Butylphenyl)acetonitrile
    • 4-(1,1-Dimethylethyl)benzeneacetonitrile
    • EINECS 221-944-1
    • UNII-JJV56A2CNJ
    • NSC 85354
    • NSC-85354
    • DTXSID8052011
    • P-TERT-BUTYLBENZYL CYANIDE
    • RefChem:69491
    • DTXCID1030575
    • 221-944-1
    • 4-TERT-BUTYLPHENYLACETONITRILE
    • 2-[4-(tert-Butyl)phenyl]ethanenitrile
    • 2-(4-tert-butylphenyl)acetonitrile
    • 2-(4-(tert-Butyl)phenyl)acetonitrile
    • MFCD00128112
    • 4-tertbutylbenzyl cyanide
    • 4-tert-Butylphenyl-acetonitrile
    • 4-(tert-Butyl)phenylacetonitrile
    • 4-TERT-BUTYL BENZYL CYANIDE
    • p-tert-Butylbenzeneacetontrile
    • NSC85354
    • 4-tert-Butylbenzylcyanide
    • 4-tert-Butyl benzylcyanide
    • 4-t-Butylphenylacetonitrile
    • p-Tert.butyl-benzyl cyanide
    • (4-t-Butylphenyl)acetonitrile
    • 4-(tert-Butyl)benzyl cyanide
    • SCHEMBL105433
    • p-tert-butylphenyl acetonitrile
    • (4-tert-Butyl-phenyl)-acetonitrile
    • 2-(4-(t-butyl)phenyl)acetonitrile
    • 2-(4-tert-butylphenyl)ethanenitrile
    • CCG-40558
    • SBB063322
    • Benzeneacetonitrile,1-dimethylethyl)-
    • AKOS000152109
    • AC-2579
    • CS-W019037
    • FB70688
    • GS-3131
    • 4-(1,1-Dimethylethyl)phenylacetonitrile
    • 4-(1,1-dimethylethyl)-benzeneacetonitrile
    • DB-048292
    • B5935
    • NS00012063
    • EN300-41252
    • 288B991
    • A821933
    • F0001-0974
    • Z285184590
    • 3288-99-1

  • Applications

    (4-tert-Butylphenyl)acetonitrile (CAS 3288-99-1) is primarily used as a synthetic building block in organic chemistry. In practice, it serves as an intermediate in the development of pharmaceuticals and agrochemicals, where it can be transformed into aromatic amines, heterocycles, or other aryl nitrile derivatives using standard nitrile chemistry. It also acts as a precursor in the production of dyes and pigments, providing an aryl nitrile handle for colorant synthesis. Additionally, it is used as a functional building block in specialty polymers and coatings to introduce tert-butylphenyl and nitrile functionalities into formulations. The compound is commonly employed in research and development for the preparation of more complex nitrile-containing compounds and intermediates, and may appear in process formulations and scale-up workflows in chemical manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 208.9
    methanol 287.93
    isopropanol 125.75
    water 1.26
    ethyl acetate 434.82
    n-propanol 164.31
    acetone 504.41
    n-butanol 137.65
    acetonitrile 397.69
    DMF 860.05
    toluene 205.94
    isobutanol 104.44
    1,4-dioxane 627.85
    methyl acetate 398.01
    THF 748.34
    2-butanone 387.57
    n-pentanol 99.29
    sec-butanol 97.04
    n-hexane 59.05
    ethylene glycol 77.87
    NMP 573.91
    cyclohexane 96.68
    DMSO 428.04
    n-butyl acetate 326.77
    n-octanol 94.83
    chloroform 803.9
    n-propyl acetate 225.02
    acetic acid 226.55
    dichloromethane 587.4
    cyclohexanone 531.53
    propylene glycol 105.66
    isopropyl acetate 238.01
    DMAc 656.4
    2-ethoxyethanol 178.17
    isopentanol 100.96
    n-heptane 61.86
    ethyl formate 257.68
    1,2-dichloroethane 399.1
    n-hexanol 216.78
    2-methoxyethanol 300.61
    isobutyl acetate 159.91
    tetrachloromethane 136.47
    n-pentyl acetate 146.1
    transcutol 657.47
    n-heptanol 94.43
    ethylbenzene 114.8
    MIBK 175.37
    2-propoxyethanol 316.57
    tert-butanol 166.13
    MTBE 200.03
    2-butoxyethanol 155.04
    propionic acid 222.25
    o-xylene 120.48
    formic acid 113.95
    diethyl ether 292.26
    m-xylene 140.16
    p-xylene 156.1
    chlorobenzene 297.94
    dimethyl carbonate 261.16
    n-octane 22.6
    formamide 190.49
    cyclopentanone 650.7
    2-pentanone 302.58
    anisole 254.35
    cyclopentyl methyl ether 324.53
    gamma-butyrolactone 683.38
    1-methoxy-2-propanol 247.59
    pyridine 438.2
    3-pentanone 293.46
    furfural 517.49
    n-dodecane 16.52
    diethylene glycol 231.93
    diisopropyl ether 102.91
    tert-amyl alcohol 111.03
    acetylacetone 450.68
    n-hexadecane 19.06
    acetophenone 215.02
    methyl propionate 366.11
    isopentyl acetate 252.1
    trichloroethylene 713.57
    n-nonanol 87.42
    cyclohexanol 144.22
    benzyl alcohol 139.56
    2-ethylhexanol 126.99
    isooctanol 71.67
    dipropyl ether 252.54
    1,2-dichlorobenzene 265.86
    ethyl lactate 125.98
    propylene carbonate 413.11
    n-methylformamide 346.02
    2-pentanol 87.42
    n-pentane 39.58
    1-propoxy-2-propanol 237.59
    1-methoxy-2-propyl acetate 325.93
    2-(2-methoxypropoxy) propanol 173.27
    mesitylene 93.99
    ε-caprolactone 393.11
    p-cymene 86.56
    epichlorohydrin 531.66
    1,1,1-trichloroethane 449.41
    2-aminoethanol 121.54
    morpholine-4-carbaldehyde 575.97
    sulfolane 623.58
    2,2,4-trimethylpentane 18.53
    2-methyltetrahydrofuran 399.39
    n-hexyl acetate 214.16
    isooctane 16.74
    2-(2-butoxyethoxy)ethanol 215.46
    sec-butyl acetate 156.46
    tert-butyl acetate 251.82
    decalin 42.56
    glycerin 130.93
    diglyme 469.38
    acrylic acid 213.71
    isopropyl myristate 102.59
    n-butyric acid 255.64
    acetyl acetate 330.41
    di(2-ethylhexyl) phthalate 96.51
    ethyl propionate 228.15
    nitromethane 563.71
    1,2-diethoxyethane 292.79
    benzonitrile 231.7
    trioctyl phosphate 71.77
    1-bromopropane 231.84
    gamma-valerolactone 676.32
    n-decanol 67.81
    triethyl phosphate 126.49
    4-methyl-2-pentanol 61.94
    propionitrile 282.8
    vinylene carbonate 403.02
    1,1,2-trichlorotrifluoroethane 407.04
    DMS 259.48
    cumene 80.81
    2-octanol 59.3
    2-hexanone 214.16
    octyl acetate 122.44
    limonene 129.91
    1,2-dimethoxyethane 377.46
    ethyl orthosilicate 114.81
    tributyl phosphate 91.67
    diacetone alcohol 214.99
    N,N-dimethylaniline 162.82
    acrylonitrile 332.47
    aniline 200.29
    1,3-propanediol 123.24
    bromobenzene 329.84
    dibromomethane 398.7
    1,1,2,2-tetrachloroethane 610.02
    2-methyl-cyclohexyl acetate 188.04
    tetrabutyl urea 112.29
    diisobutyl methanol 81.75
    2-phenylethanol 183.6
    styrene 147.99
    dioctyl adipate 144.85
    dimethyl sulfate 318.15
    ethyl butyrate 249.92
    methyl lactate 198.33
    butyl lactate 120.64
    diethyl carbonate 189.43
    propanediol butyl ether 148.32
    triethyl orthoformate 180.18
    p-tert-butyltoluene 91.57
    methyl 4-tert-butylbenzoate 190.26
    morpholine 540.39
    tert-butylamine 121.43
    n-dodecanol 55.81
    dimethoxymethane 405.53
    ethylene carbonate 347.33
    cyrene 188.37
    2-ethoxyethyl acetate 221.66
    2-ethylhexyl acetate 216.09
    1,2,4-trichlorobenzene 302.07
    4-methylpyridine 399.64
    dibutyl ether 155.57
    2,6-dimethyl-4-heptanol 81.75
    DEF 324.4
    dimethyl isosorbide 354.62
    tetrachloroethylene 372.67
    eugenol 171.79
    triacetin 254.74
    span 80 163.06
    1,4-butanediol 62.28
    1,1-dichloroethane 395.62
    2-methyl-1-pentanol 78.75
    methyl formate 309.82
    2-methyl-1-butanol 88.48
    n-decane 27.71
    butyronitrile 247.72
    3,7-dimethyl-1-octanol 90.49
    1-chlorooctane 96.33
    1-chlorotetradecane 43.97
    n-nonane 28.69
    undecane 20.54
    tert-butylcyclohexane 38.83
    cyclooctane 37.73
    cyclopentanol 158.44
    tetrahydropyran 499.71
    tert-amyl methyl ether 145.81
    2,5,8-trioxanonane 321.17
    1-hexene 141.3
    2-isopropoxyethanol 135.34
    2,2,2-trifluoroethanol 133.2
    methyl butyrate 258.95

    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