2-Methyl-5-butylpyrazine

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  • Identifiers

    CAS number
    29461-04-9

    Molecular formula
    C9H14N2

    SMILES
    CCCCC1=NC=C(N=C1)C

    Safety labels

  • Odor profile

    Fragrance
    Nutty 63.64%
    Roasted 59.23%
    Green 55.59%
    Earthy 55.43%
    Musty 43.35%
    Hazelnut 41.85%
    Cocoa 40.18%
    Vegetable 38.48%
    Burnt 36.54%
    Potato 35.74%

     

    Flavor
    Green 68.32%
    Nutty 58.97%
    Earthy 53.01%
    Roasted 45.52%
    Fatty 44.51%
    Pepper 42.7%
    Vegetable 42.41%
    Musty 40.92%
    Raw 38.56%
    Herbal 38.26%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    4.67 (weak acid)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    232°C

    Flash point

    • 92.87 ˚C est.

  • Synonyms

    • 2-methyl-5-butylpyrazine
    • 29461-04-9
    • DTXSID30423864
    • RefChem:263528
    • DTXCID90374702
    • ICMOJSQWNJQRQI-UHFFFAOYSA-N
    • 2-butyl-5-methylpyrazine
    • SCHEMBL293170
    • SCHEMBL293171
    • SCHEMBL295101
    • 29461-04-9

  • Applications

    2-Methyl-5-butylpyrazine (CAS 29461-04-9) is primarily used as an aroma and flavor ingredient, contributing roasted and nutty notes in fragrance and sensory formulations. In perfumery, it is employed as a specialty odorant component; in flavor applications it helps enhance roasted or nutty profiles; in cosmetics and personal care, it provides fragrance performance; in household products, it serves to impart characteristic scent profiles for items such as cleaners or air fresheners. It is also used as an intermediate in the synthesis of other pyrazine-based aroma compounds for fragrance and flavor development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 330.64
    methanol 356.74
    isopropanol 219.81
    water 0.64
    ethyl acetate 293.19
    n-propanol 267.17
    acetone 370.35
    n-butanol 275.42
    acetonitrile 199.56
    DMF 652.53
    toluene 183.79
    isobutanol 228.67
    1,4-dioxane 399.77
    methyl acetate 232.64
    THF 519.49
    2-butanone 275.31
    n-pentanol 199.75
    sec-butanol 200.25
    n-hexane 32.76
    ethylene glycol 87.65
    NMP 450.09
    cyclohexane 66.07
    DMSO 590.24
    n-butyl acetate 487.04
    n-octanol 98.27
    chloroform 1227.93
    n-propyl acetate 190.78
    acetic acid 399.47
    dichloromethane 1114.64
    cyclohexanone 521.61
    propylene glycol 127.05
    isopropyl acetate 196.07
    DMAc 466.31
    2-ethoxyethanol 225.25
    isopentanol 237.84
    n-heptane 32.67
    ethyl formate 261.9
    1,2-dichloroethane 577.28
    n-hexanol 325.15
    2-methoxyethanol 412.51
    isobutyl acetate 143.86
    tetrachloromethane 181.42
    n-pentyl acetate 156.02
    transcutol 814.06
    n-heptanol 117.64
    ethylbenzene 89.6
    MIBK 148.2
    2-propoxyethanol 381.92
    tert-butanol 259.08
    MTBE 232.7
    2-butoxyethanol 199.03
    propionic acid 259.19
    o-xylene 121.53
    formic acid 114.28
    diethyl ether 190.37
    m-xylene 132.29
    p-xylene 133.12
    chlorobenzene 357.21
    dimethyl carbonate 104.62
    n-octane 13.86
    formamide 115.85
    cyclopentanone 510.71
    2-pentanone 239.14
    anisole 158.82
    cyclopentyl methyl ether 253.73
    gamma-butyrolactone 564.54
    1-methoxy-2-propanol 301.93
    pyridine 487.47
    3-pentanone 180.91
    furfural 587.53
    n-dodecane 13.42
    diethylene glycol 284.06
    diisopropyl ether 62.06
    tert-amyl alcohol 229.97
    acetylacetone 281.08
    n-hexadecane 15.18
    acetophenone 170.46
    methyl propionate 218.2
    isopentyl acetate 370.87
    trichloroethylene 1175.69
    n-nonanol 86.45
    cyclohexanol 243.71
    benzyl alcohol 176.79
    2-ethylhexanol 207.38
    isooctanol 96.59
    dipropyl ether 167.88
    1,2-dichlorobenzene 330.33
    ethyl lactate 98.02
    propylene carbonate 413.41
    n-methylformamide 232.81
    2-pentanol 163.55
    n-pentane 28.87
    1-propoxy-2-propanol 311.31
    1-methoxy-2-propyl acetate 298.55
    2-(2-methoxypropoxy) propanol 187.95
    mesitylene 83.36
    ε-caprolactone 412.84
    p-cymene 93.33
    epichlorohydrin 574.2
    1,1,1-trichloroethane 513.23
    2-aminoethanol 158.66
    morpholine-4-carbaldehyde 433.97
    sulfolane 601.27
    2,2,4-trimethylpentane 27.12
    2-methyltetrahydrofuran 390.55
    n-hexyl acetate 198.15
    isooctane 16.91
    2-(2-butoxyethoxy)ethanol 251.14
    sec-butyl acetate 125.47
    tert-butyl acetate 184.64
    decalin 37.38
    glycerin 176.17
    diglyme 405.75
    acrylic acid 236.62
    isopropyl myristate 82.28
    n-butyric acid 482.22
    acetyl acetate 213.63
    di(2-ethylhexyl) phthalate 106.27
    ethyl propionate 146.64
    nitromethane 420.15
    1,2-diethoxyethane 293.77
    benzonitrile 302.75
    trioctyl phosphate 73.19
    1-bromopropane 322.67
    gamma-valerolactone 586.09
    n-decanol 69.9
    triethyl phosphate 102.05
    4-methyl-2-pentanol 103.38
    propionitrile 230.97
    vinylene carbonate 382.02
    1,1,2-trichlorotrifluoroethane 467.65
    DMS 170.88
    cumene 72.33
    2-octanol 73.42
    2-hexanone 183.23
    octyl acetate 107.14
    limonene 142.93
    1,2-dimethoxyethane 356.45
    ethyl orthosilicate 102.84
    tributyl phosphate 96.83
    diacetone alcohol 197.76
    N,N-dimethylaniline 128.2
    acrylonitrile 276.89
    aniline 257.96
    1,3-propanediol 235.08
    bromobenzene 398.69
    dibromomethane 703.4
    1,1,2,2-tetrachloroethane 912.88
    2-methyl-cyclohexyl acetate 172.75
    tetrabutyl urea 126.12
    diisobutyl methanol 103.17
    2-phenylethanol 228.19
    styrene 124.81
    dioctyl adipate 129.2
    dimethyl sulfate 173.25
    ethyl butyrate 225.02
    methyl lactate 131.07
    butyl lactate 147.51
    diethyl carbonate 154.89
    propanediol butyl ether 185.26
    triethyl orthoformate 158.18
    p-tert-butyltoluene 85.94
    methyl 4-tert-butylbenzoate 156.5
    morpholine 429.34
    tert-butylamine 183.71
    n-dodecanol 59.03
    dimethoxymethane 251.52
    ethylene carbonate 317.15
    cyrene 160.92
    2-ethoxyethyl acetate 203.08
    2-ethylhexyl acetate 286.35
    1,2,4-trichlorobenzene 349.8
    4-methylpyridine 462.34
    dibutyl ether 133.6
    2,6-dimethyl-4-heptanol 103.17
    DEF 317.39
    dimethyl isosorbide 313.57
    tetrachloroethylene 610.79
    eugenol 171.89
    triacetin 164.03
    span 80 180.61
    1,4-butanediol 109.37
    1,1-dichloroethane 548.15
    2-methyl-1-pentanol 199.11
    methyl formate 213.7
    2-methyl-1-butanol 239.14
    n-decane 19.55
    butyronitrile 285.32
    3,7-dimethyl-1-octanol 116.6
    1-chlorooctane 81.66
    1-chlorotetradecane 38.85
    n-nonane 18.37
    undecane 15.81
    tert-butylcyclohexane 34.54
    cyclooctane 20.72
    cyclopentanol 237.04
    tetrahydropyran 401.98
    tert-amyl methyl ether 169.37
    2,5,8-trioxanonane 298.15
    1-hexene 125.05
    2-isopropoxyethanol 158.74
    2,2,2-trifluoroethanol 120.7
    methyl butyrate 235.28

    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