2-tert-Butylpyrazine

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  • Identifiers

    CAS number
    32741-11-0

    Molecular formula
    C8H12N2

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 85.88%
    Nutty 64.2%
    Earthy 60.54%
    Roasted 53.36%
    Vegetable 48.31%
    Woody 42.03%
    Mint 39.95%
    Musty 39.35%
    Leafy 37.51%
    Potato 36.18%

     

    Flavor
    Green 75.44%
    Earthy 51.4%
    Musty 39.93%
    Pepper 39.23%
    Earth 37.82%
    Nutty 36.55%
    Herbal 36.44%
    Vegetable 32.23%
    Raw 31.13%
    Pea 30.14%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    4.69 (weak acid)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    177°C

    Flash point

    • 81.8 ˚C est.

  • Synonyms

    • 2-tert-Butylpyrazine
    • 32741-11-0
    • tert-Butylpyrazine
    • t-Butylpyrazine
    • Pyrazine, (1,1-dimethylethyl)-
    • Pyrazine, 2-(1,1-dimethylethyl)-
    • (1,1-Dimethylethyl)pyrazine
    • UNII-5278IBF644
    • EINECS 251-186-7
    • 5278IBF644
    • PYRAZINE, TERT-BUTYL-
    • DTXSID3047421
    • 2-t-butylpyrazine
    • MFCD00069193
    • 2-tert-butyl pyrazine
    • 2-(Tert-butyl)pyrazine
    • SCHEMBL179284
    • DTXCID1027421
    • SCHEMBL18898463
    • SCHEMBL19025659
    • YNQZVOWNJKASKQ-UHFFFAOYSA-N
    • AKOS015838107
    • DB-024527
    • B3394
    • CS-0451068
    • NS00029327
    • T70779
    • Q27260970

  • Applications

    For 2-tert-Butylpyrazine (CAS 32741-11-0), typical applications include fragrance ingredients in perfumery; may be used as a flavor/aroma component for food applications; cosmetics and personal care formulations to augment scent; odorant in household cleaning products; serving as an intermediate in industrial manufacturing of specialty chemicals and in synthesis for polymers/plastics; and may be used as an odorant or fixative in various formulations, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 52.66
    methanol 67.84
    isopropanol 58.19
    water 4.26
    ethyl acetate 108.7
    n-propanol 71.94
    acetone 107.87
    n-butanol 68.5
    acetonitrile 82.94
    DMF 162.94
    toluene 95.18
    isobutanol 77.9
    1,4-dioxane 154.54
    methyl acetate 123.58
    THF 239.09
    2-butanone 132.7
    n-pentanol 52.15
    sec-butanol 80.14
    n-hexane 35.55
    ethylene glycol 33.39
    NMP 311.05
    cyclohexane 49.45
    DMSO 106.15
    n-butyl acetate 160.92
    n-octanol 79.15
    chloroform 508.92
    n-propyl acetate 80.98
    acetic acid 144.12
    dichloromethane 319.54
    cyclohexanone 250.93
    propylene glycol 54.49
    isopropyl acetate 82.66
    DMAc 207.32
    2-ethoxyethanol 62.19
    isopentanol 71.48
    n-heptane 50.69
    ethyl formate 86.6
    1,2-dichloroethane 167.47
    n-hexanol 146.71
    2-methoxyethanol 96.54
    isobutyl acetate 79.34
    tetrachloromethane 142.4
    n-pentyl acetate 90.98
    transcutol 179.32
    n-heptanol 92.29
    ethylbenzene 72.14
    MIBK 82.47
    2-propoxyethanol 152.58
    tert-butanol 102.35
    MTBE 107.44
    2-butoxyethanol 108.96
    propionic acid 133.77
    o-xylene 101.24
    formic acid 52.05
    diethyl ether 71.57
    m-xylene 93.62
    p-xylene 113.37
    chlorobenzene 175.57
    dimethyl carbonate 62.79
    n-octane 21.86
    formamide 38.4
    cyclopentanone 280.72
    2-pentanone 98.97
    anisole 104.87
    cyclopentyl methyl ether 157.19
    gamma-butyrolactone 315.81
    1-methoxy-2-propanol 93.2
    pyridine 163.19
    3-pentanone 113.39
    furfural 277.81
    n-dodecane 16.5
    diethylene glycol 99.46
    diisopropyl ether 47.11
    tert-amyl alcohol 119.41
    acetylacetone 110.75
    n-hexadecane 18.0
    acetophenone 121.48
    methyl propionate 110.26
    isopentyl acetate 163.34
    trichloroethylene 409.18
    n-nonanol 69.3
    cyclohexanol 123.53
    benzyl alcohol 87.81
    2-ethylhexanol 123.46
    isooctanol 77.83
    dipropyl ether 107.49
    1,2-dichlorobenzene 193.99
    ethyl lactate 72.29
    propylene carbonate 244.42
    n-methylformamide 77.11
    2-pentanol 63.82
    n-pentane 29.32
    1-propoxy-2-propanol 141.25
    1-methoxy-2-propyl acetate 150.25
    2-(2-methoxypropoxy) propanol 123.09
    mesitylene 70.21
    ε-caprolactone 220.4
    p-cymene 88.63
    epichlorohydrin 235.46
    1,1,1-trichloroethane 316.84
    2-aminoethanol 57.56
    morpholine-4-carbaldehyde 220.34
    sulfolane 386.4
    2,2,4-trimethylpentane 34.61
    2-methyltetrahydrofuran 192.8
    n-hexyl acetate 135.98
    isooctane 22.33
    2-(2-butoxyethoxy)ethanol 127.75
    sec-butyl acetate 72.06
    tert-butyl acetate 113.1
    decalin 37.25
    glycerin 80.52
    diglyme 189.33
    acrylic acid 135.48
    isopropyl myristate 65.67
    n-butyric acid 151.2
    acetyl acetate 97.64
    di(2-ethylhexyl) phthalate 80.96
    ethyl propionate 84.14
    nitromethane 149.56
    1,2-diethoxyethane 79.2
    benzonitrile 127.52
    trioctyl phosphate 60.41
    1-bromopropane 121.94
    gamma-valerolactone 276.69
    n-decanol 58.37
    triethyl phosphate 80.46
    4-methyl-2-pentanol 55.01
    propionitrile 98.76
    vinylene carbonate 215.12
    1,1,2-trichlorotrifluoroethane 239.3
    DMS 116.55
    cumene 69.39
    2-octanol 64.47
    2-hexanone 88.06
    octyl acetate 87.31
    limonene 122.4
    1,2-dimethoxyethane 104.49
    ethyl orthosilicate 78.53
    tributyl phosphate 70.4
    diacetone alcohol 125.53
    N,N-dimethylaniline 103.93
    acrylonitrile 116.28
    aniline 110.93
    1,3-propanediol 59.48
    bromobenzene 192.53
    dibromomethane 243.31
    1,1,2,2-tetrachloroethane 385.56
    2-methyl-cyclohexyl acetate 131.81
    tetrabutyl urea 87.89
    diisobutyl methanol 76.48
    2-phenylethanol 130.01
    styrene 75.33
    dioctyl adipate 91.49
    dimethyl sulfate 124.86
    ethyl butyrate 115.61
    methyl lactate 91.28
    butyl lactate 96.22
    diethyl carbonate 88.26
    propanediol butyl ether 108.44
    triethyl orthoformate 99.04
    p-tert-butyltoluene 91.23
    methyl 4-tert-butylbenzoate 151.68
    morpholine 139.38
    tert-butylamine 87.26
    n-dodecanol 49.09
    dimethoxymethane 81.05
    ethylene carbonate 163.32
    cyrene 142.51
    2-ethoxyethyl acetate 96.43
    2-ethylhexyl acetate 144.95
    1,2,4-trichlorobenzene 239.01
    4-methylpyridine 168.33
    dibutyl ether 75.5
    2,6-dimethyl-4-heptanol 76.48
    DEF 121.21
    dimethyl isosorbide 206.65
    tetrachloroethylene 263.56
    eugenol 129.52
    triacetin 132.37
    span 80 125.33
    1,4-butanediol 35.16
    1,1-dichloroethane 231.92
    2-methyl-1-pentanol 62.32
    methyl formate 81.88
    2-methyl-1-butanol 83.1
    n-decane 26.1
    butyronitrile 89.74
    3,7-dimethyl-1-octanol 83.26
    1-chlorooctane 80.15
    1-chlorotetradecane 35.63
    n-nonane 27.41
    undecane 19.78
    tert-butylcyclohexane 42.09
    cyclooctane 25.13
    cyclopentanol 137.93
    tetrahydropyran 151.81
    tert-amyl methyl ether 114.34
    2,5,8-trioxanonane 151.66
    1-hexene 68.18
    2-isopropoxyethanol 60.85
    2,2,2-trifluoroethanol 87.25
    methyl butyrate 106.03

    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