2-Methyl-5-isobutylpyrazine

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  • Identifiers

    CAS number
    29461-05-0

    Molecular formula
    C9H14N2

    SMILES
    CC1=CN=C(C=N1)CC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 79.9%
    Earthy 54.35%
    Nutty 52.49%
    Fruity 50.77%
    Vegetable 46.98%
    Roasted 40.45%
    Woody 35.71%
    Cocoa 35.5%
    Leafy 34.79%
    Musty 33.84%

     

    Flavor
    Green 72.28%
    Earthy 50.15%
    Herbal 45.17%
    Pepper 42.17%
    Musty 36.94%
    Roasted 36.28%
    Earth 36.11%
    Vegetable 33.1%
    Pea 33.06%
    Nutty 32.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    4.99 (weak acid)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    231°C

    Flash point

    • 90.38 ˚C est.

  • Synonyms

    • 2-Methyl-5-isobutylpyrazine
    • 2-Methyl-5-(2-methylpropyl)pyrazine
    • 29461-05-0
    • SCHEMBL2408169
    • SCHEMBL4684450
    • SCHEMBL10182085
    • DTXSID80555205
    • IZEBGMNIMQBAJR-UHFFFAOYSA-N
    • 29461-05-0

  • Applications

    2-Methyl-5-isobutylpyrazine (CAS number: 29461-05-0) is a pyrazine aroma compound with roasted, nutty notes used as a fragrance ingredient in perfumery and cosmetics, as a flavor additive to impart roasted notes in food and beverages, and as an odorant in household products such as cleaners and air fresheners; it is also considered for industrial manufacturing as an aroma enhancer or as a chemical synthesis intermediate.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 179.48
    methanol 236.6
    isopropanol 124.39
    water 3.04
    ethyl acetate 122.64
    n-propanol 159.95
    acetone 169.66
    n-butanol 165.45
    acetonitrile 87.4
    DMF 318.62
    toluene 116.8
    isobutanol 155.66
    1,4-dioxane 246.05
    methyl acetate 129.03
    THF 360.86
    2-butanone 153.96
    n-pentanol 127.01
    sec-butanol 132.87
    n-hexane 52.37
    ethylene glycol 74.74
    NMP 350.22
    cyclohexane 74.3
    DMSO 199.07
    n-butyl acetate 214.22
    n-octanol 89.91
    chloroform 695.4
    n-propyl acetate 89.36
    acetic acid 305.38
    dichloromethane 399.58
    cyclohexanone 304.87
    propylene glycol 105.72
    isopropyl acetate 93.08
    DMAc 332.29
    2-ethoxyethanol 131.77
    isopentanol 166.33
    n-heptane 33.63
    ethyl formate 118.0
    1,2-dichloroethane 231.03
    n-hexanol 263.01
    2-methoxyethanol 229.97
    isobutyl acetate 86.6
    tetrachloromethane 130.37
    n-pentyl acetate 96.39
    transcutol 408.99
    n-heptanol 99.87
    ethylbenzene 63.9
    MIBK 94.01
    2-propoxyethanol 282.03
    tert-butanol 166.08
    MTBE 160.0
    2-butoxyethanol 149.05
    propionic acid 197.75
    o-xylene 85.56
    formic acid 110.35
    diethyl ether 117.23
    m-xylene 86.89
    p-xylene 99.59
    chlorobenzene 202.15
    dimethyl carbonate 64.25
    n-octane 12.89
    formamide 72.21
    cyclopentanone 307.94
    2-pentanone 116.44
    anisole 101.7
    cyclopentyl methyl ether 190.3
    gamma-butyrolactone 318.23
    1-methoxy-2-propanol 162.48
    pyridine 242.53
    3-pentanone 119.21
    furfural 340.28
    n-dodecane 11.32
    diethylene glycol 205.05
    diisopropyl ether 50.42
    tert-amyl alcohol 162.22
    acetylacetone 127.98
    n-hexadecane 12.54
    acetophenone 111.68
    methyl propionate 111.14
    isopentyl acetate 192.8
    trichloroethylene 541.07
    n-nonanol 79.7
    cyclohexanol 188.96
    benzyl alcohol 114.03
    2-ethylhexanol 152.42
    isooctanol 79.82
    dipropyl ether 112.18
    1,2-dichlorobenzene 185.76
    ethyl lactate 72.47
    propylene carbonate 243.38
    n-methylformamide 123.71
    2-pentanol 109.32
    n-pentane 38.6
    1-propoxy-2-propanol 202.23
    1-methoxy-2-propyl acetate 168.27
    2-(2-methoxypropoxy) propanol 137.32
    mesitylene 59.33
    ε-caprolactone 253.14
    p-cymene 68.82
    epichlorohydrin 287.62
    1,1,1-trichloroethane 296.91
    2-aminoethanol 114.11
    morpholine-4-carbaldehyde 282.55
    sulfolane 351.22
    2,2,4-trimethylpentane 33.86
    2-methyltetrahydrofuran 275.31
    n-hexyl acetate 148.08
    isooctane 18.87
    2-(2-butoxyethoxy)ethanol 172.95
    sec-butyl acetate 73.63
    tert-butyl acetate 103.92
    decalin 37.15
    glycerin 145.19
    diglyme 256.61
    acrylic acid 196.55
    isopropyl myristate 60.7
    n-butyric acid 268.63
    acetyl acetate 115.79
    di(2-ethylhexyl) phthalate 83.69
    ethyl propionate 76.91
    nitromethane 210.87
    1,2-diethoxyethane 134.88
    benzonitrile 158.15
    trioctyl phosphate 57.62
    1-bromopropane 163.12
    gamma-valerolactone 349.35
    n-decanol 62.63
    triethyl phosphate 70.35
    4-methyl-2-pentanol 82.39
    propionitrile 110.48
    vinylene carbonate 225.68
    1,1,2-trichlorotrifluoroethane 337.64
    DMS 114.72
    cumene 56.94
    2-octanol 61.83
    2-hexanone 103.66
    octyl acetate 82.54
    limonene 102.94
    1,2-dimethoxyethane 193.98
    ethyl orthosilicate 71.94
    tributyl phosphate 72.49
    diacetone alcohol 124.24
    N,N-dimethylaniline 88.73
    acrylonitrile 131.95
    aniline 151.4
    1,3-propanediol 154.35
    bromobenzene 205.37
    dibromomethane 296.86
    1,1,2,2-tetrachloroethane 497.14
    2-methyl-cyclohexyl acetate 122.66
    tetrabutyl urea 88.43
    diisobutyl methanol 75.61
    2-phenylethanol 167.92
    styrene 78.13
    dioctyl adipate 85.81
    dimethyl sulfate 113.68
    ethyl butyrate 107.36
    methyl lactate 92.67
    butyl lactate 107.15
    diethyl carbonate 83.44
    propanediol butyl ether 140.77
    triethyl orthoformate 97.03
    p-tert-butyltoluene 66.81
    methyl 4-tert-butylbenzoate 112.39
    morpholine 251.68
    tert-butylamine 124.76
    n-dodecanol 50.5
    dimethoxymethane 131.38
    ethylene carbonate 186.25
    cyrene 133.28
    2-ethoxyethyl acetate 114.19
    2-ethylhexyl acetate 165.17
    1,2,4-trichlorobenzene 227.19
    4-methylpyridine 238.03
    dibutyl ether 88.53
    2,6-dimethyl-4-heptanol 75.61
    DEF 159.19
    dimethyl isosorbide 203.58
    tetrachloroethylene 357.61
    eugenol 128.66
    triacetin 124.0
    span 80 135.95
    1,4-butanediol 80.19
    1,1-dichloroethane 255.32
    2-methyl-1-pentanol 137.47
    methyl formate 118.87
    2-methyl-1-butanol 165.46
    n-decane 17.07
    butyronitrile 135.51
    3,7-dimethyl-1-octanol 98.32
    1-chlorooctane 65.23
    1-chlorotetradecane 28.84
    n-nonane 16.88
    undecane 13.41
    tert-butylcyclohexane 34.66
    cyclooctane 25.18
    cyclopentanol 186.76
    tetrahydropyran 253.88
    tert-amyl methyl ether 136.09
    2,5,8-trioxanonane 178.52
    1-hexene 116.09
    2-isopropoxyethanol 103.15
    2,2,2-trifluoroethanol 123.71
    methyl butyrate 109.93

    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