2-Sec-butylpyrazine

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  • Identifiers

    CAS number
    29460-93-3

    Molecular formula
    C8H12N2

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

    Safety labels

  • Odor profile

    Fragrance
    Green 84.06%
    Nutty 65.26%
    Earthy 62.78%
    Vegetable 57.03%
    Roasted 52.12%
    Musty 41.84%
    Potato 39.32%
    Cocoa 36.92%
    Burnt 34.95%
    Leafy 34.53%

     

    Flavor
    Green 89.38%
    Herbal 58.55%
    Pepper 55.55%
    Earthy 48.13%
    Musty 41.39%
    Nutty 39.07%
    Raw 38.65%
    Vegetable 34.71%
    Earth 34.7%
    Pea 34.43%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    4.74 (weak acid)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    200°C

    Flash point

    • 81.28 ˚C est.

  • Synonyms

    • 2-Sec-butylpyrazine
    • 2-(sec-Butyl)pyrazine
    • 29460-93-3
    • 124070-52-6
    • 2-SECBUTYL PYRAZINE
    • 2-butan-2-ylpyrazine
    • 2-(1-Methylpropyl)pyrazine
    • 2-(butan-2-yl)pyrazine
    • Pyrazine, 2-(1-methylpropyl)-
    • sec-butylpyrazine
    • 1-methylpropylpyrazine
    • 3-sec-butyl pyrazine
    • Pyrazine, (1-methylpropyl)
    • SCHEMBL294331
    • SCHEMBL294332
    • SCHEMBL295095
    • SCHEMBL12694263
    • SCHEMBL17103365
    • SCHEMBL17103395
    • SCHEMBL17103556
    • DTXSID50335935
    • NFFQZEXYZVZKNN-UHFFFAOYSA-N
    • DTXSID601311206
    • AKOS006276632
    • DB-068121
    • 460S933
    • 124070-52-6

  • Applications

    2-Sec-butylpyrazine (CAS 29460-93-3) is primarily used as an odorant in fragrances and as a flavoring agent in foods, contributing roasted and nutty notes in controlled formulations; it is also used as a fragrance/odorant ingredient in cosmetics and personal care products, and may be added to household products and cleaners to impart a desirable aroma; in industrial contexts, it can serve as an organic synthesis intermediate for the production of specialty additives and chemical intermediates, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 191.35
    methanol 165.66
    isopropanol 146.68
    water 1.35
    ethyl acetate 123.38
    n-propanol 172.33
    acetone 164.12
    n-butanol 151.17
    acetonitrile 185.97
    DMF 285.04
    toluene 129.7
    isobutanol 157.03
    1,4-dioxane 253.51
    methyl acetate 134.22
    THF 283.62
    2-butanone 166.18
    n-pentanol 113.27
    sec-butanol 133.97
    n-hexane 16.38
    ethylene glycol 49.92
    NMP 323.4
    cyclohexane 46.85
    DMSO 333.63
    n-butyl acetate 252.05
    n-octanol 78.36
    chloroform 961.09
    n-propyl acetate 103.81
    acetic acid 258.18
    dichloromethane 934.95
    cyclohexanone 358.35
    propylene glycol 63.38
    isopropyl acetate 70.18
    DMAc 209.34
    2-ethoxyethanol 115.57
    isopentanol 125.48
    n-heptane 28.86
    ethyl formate 179.5
    1,2-dichloroethane 410.43
    n-hexanol 194.44
    2-methoxyethanol 190.47
    isobutyl acetate 74.04
    tetrachloromethane 204.58
    n-pentyl acetate 109.04
    transcutol 361.87
    n-heptanol 94.51
    ethylbenzene 66.82
    MIBK 69.59
    2-propoxyethanol 200.68
    tert-butanol 150.68
    MTBE 97.28
    2-butoxyethanol 129.6
    propionic acid 191.97
    o-xylene 94.81
    formic acid 75.4
    diethyl ether 84.55
    m-xylene 82.53
    p-xylene 102.01
    chlorobenzene 323.17
    dimethyl carbonate 48.62
    n-octane 11.42
    formamide 97.13
    cyclopentanone 305.49
    2-pentanone 107.87
    anisole 107.24
    cyclopentyl methyl ether 138.6
    gamma-butyrolactone 386.12
    1-methoxy-2-propanol 130.06
    pyridine 392.59
    3-pentanone 94.55
    furfural 434.65
    n-dodecane 11.25
    diethylene glycol 133.7
    diisopropyl ether 30.85
    tert-amyl alcohol 137.58
    acetylacetone 110.73
    n-hexadecane 12.75
    acetophenone 119.89
    methyl propionate 103.14
    isopentyl acetate 188.54
    trichloroethylene 832.87
    n-nonanol 66.32
    cyclohexanol 168.78
    benzyl alcohol 118.45
    2-ethylhexanol 131.82
    isooctanol 72.91
    dipropyl ether 100.7
    1,2-dichlorobenzene 298.12
    ethyl lactate 60.35
    propylene carbonate 286.1
    n-methylformamide 178.75
    2-pentanol 85.9
    n-pentane 17.09
    1-propoxy-2-propanol 170.09
    1-methoxy-2-propyl acetate 139.42
    2-(2-methoxypropoxy) propanol 102.94
    mesitylene 55.42
    ε-caprolactone 269.56
    p-cymene 80.42
    epichlorohydrin 398.07
    1,1,1-trichloroethane 431.39
    2-aminoethanol 98.86
    morpholine-4-carbaldehyde 262.1
    sulfolane 469.91
    2,2,4-trimethylpentane 16.97
    2-methyltetrahydrofuran 228.75
    n-hexyl acetate 132.98
    isooctane 11.57
    2-(2-butoxyethoxy)ethanol 137.66
    sec-butyl acetate 59.91
    tert-butyl acetate 73.54
    decalin 24.92
    glycerin 84.76
    diglyme 248.82
    acrylic acid 180.85
    isopropyl myristate 52.38
    n-butyric acid 243.05
    acetyl acetate 85.28
    di(2-ethylhexyl) phthalate 71.97
    ethyl propionate 75.32
    nitromethane 280.7
    1,2-diethoxyethane 143.46
    benzonitrile 269.35
    trioctyl phosphate 53.62
    1-bromopropane 218.06
    gamma-valerolactone 362.13
    n-decanol 51.86
    triethyl phosphate 68.07
    4-methyl-2-pentanol 54.75
    propionitrile 189.91
    vinylene carbonate 299.6
    1,1,2-trichlorotrifluoroethane 295.29
    DMS 95.82
    cumene 56.83
    2-octanol 60.63
    2-hexanone 102.1
    octyl acetate 73.16
    limonene 117.64
    1,2-dimethoxyethane 177.31
    ethyl orthosilicate 65.4
    tributyl phosphate 62.35
    diacetone alcohol 98.43
    N,N-dimethylaniline 83.68
    acrylonitrile 248.11
    aniline 173.11
    1,3-propanediol 131.15
    bromobenzene 349.36
    dibromomethane 608.47
    1,1,2,2-tetrachloroethane 624.85
    2-methyl-cyclohexyl acetate 110.64
    tetrabutyl urea 81.31
    diisobutyl methanol 64.14
    2-phenylethanol 156.05
    styrene 87.69
    dioctyl adipate 81.98
    dimethyl sulfate 92.79
    ethyl butyrate 138.41
    methyl lactate 68.22
    butyl lactate 94.83
    diethyl carbonate 98.81
    propanediol butyl ether 104.65
    triethyl orthoformate 96.36
    p-tert-butyltoluene 69.38
    methyl 4-tert-butylbenzoate 117.25
    morpholine 264.25
    tert-butylamine 105.6
    n-dodecanol 41.95
    dimethoxymethane 107.32
    ethylene carbonate 232.41
    cyrene 109.15
    2-ethoxyethyl acetate 124.8
    2-ethylhexyl acetate 154.25
    1,2,4-trichlorobenzene 322.16
    4-methylpyridine 313.7
    dibutyl ether 79.72
    2,6-dimethyl-4-heptanol 64.14
    DEF 161.15
    dimethyl isosorbide 198.94
    tetrachloroethylene 451.93
    eugenol 115.75
    triacetin 103.57
    span 80 113.42
    1,4-butanediol 64.73
    1,1-dichloroethane 392.11
    2-methyl-1-pentanol 102.26
    methyl formate 151.2
    2-methyl-1-butanol 133.32
    n-decane 15.71
    butyronitrile 206.1
    3,7-dimethyl-1-octanol 73.67
    1-chlorooctane 67.1
    1-chlorotetradecane 29.35
    n-nonane 15.09
    undecane 13.1
    tert-butylcyclohexane 22.0
    cyclooctane 14.87
    cyclopentanol 183.15
    tetrahydropyran 240.2
    tert-amyl methyl ether 77.08
    2,5,8-trioxanonane 172.28
    1-hexene 60.74
    2-isopropoxyethanol 85.55
    2,2,2-trifluoroethanol 89.52
    methyl butyrate 128.43

    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